N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide

C32H43Cl2FN4O2 — CID 58222017

IUPACN-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
SMILESCC[C@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2F)NC(=O)N2CCCC2)CC1)CN(C)C
InChIInChI=1S/C32H43Cl2FN4O2/c1-4-22(21-37(2)3)17-25-18-26(33)9-10-28(25)23-11-15-38(16-12-23)31(40)30(36-32(41)39-13-5-6-14-39)19-24-7-8-27(34)20-29(24)35/h7-10,18,20,22-23,30H,4-6,11-17,19,21H2,1-3H3,(H,36,41)/t22-,30-/m1/s1
InChIKeyNFKNKQWEJCAITD-YKGWIAGDSA-N
MW605.63 g/mol
LogP6.39
Rot. Bonds10

About N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide

N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 58222017) has the molecular formula C32H43Cl2FN4O2 and a molecular weight of 605.63 g/mol. Its IUPAC name is N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
PubChem CID58222017
Molecular FormulaC32H43Cl2FN4O2
Molecular Weight605.63 g/mol
Exact Mass604.27
IUPAC NameN-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
SMILESCC[C@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2F)NC(=O)N2CCCC2)CC1)CN(C)C
InChIInChI=1S/C32H43Cl2FN4O2/c1-4-22(21-37(2)3)17-25-18-26(33)9-10-28(25)23-11-15-38(16-12-23)31(40)30(36-32(41)39-13-5-6-14-39)19-24-7-8-27(34)20-29(24)35/h7-10,18,20,22-23,30H,4-6,11-17,19,21H2,1-3H3,(H,36,41)/t22-,30-/m1/s1
InChIKeyNFKNKQWEJCAITD-YKGWIAGDSA-N
XLogP6.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.63
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[4-[4-chloro-2-[(2S)-2-ethyl-3-methylbutoxy]phenyl]piperidin-1-yl]-3-(4-chloro-2-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 24829835
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[(2R)-2-(dimethylamino)propoxy]-4-methylphenyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 58221992
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[4-[(2R)-2-(dimethylamino)butoxy]-2-methylpyrimidin-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 59505013
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 42643839
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
CID 42643586
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 24831935
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;dihydrochloride
CID 42630199
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
CID 42643837
tert-butyl 4-[4-chloro-2-[2-(hydroxymethyl)butyl]phenyl]piperidine-1-carboxylate
CID 58222125
N-[2-[4-[4-chloro-2-(3-pyrrolidin-1-ylpropyl)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide;2,4-dichloro-1-methylbenzene
CID 143553451
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42321493
cyclopentyl N-[3-(2,4-dichlorophenyl)-1-[4-[3-[2-(dimethylamino)butoxy]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 75217687

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide (CID 58222017) is N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide is CC[C@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2F)NC(=O)N2CCCC2)CC1)CN(C)C.
What is the InChIKey of N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is NFKNKQWEJCAITD-YKGWIAGDSA-N. The full InChI is InChI=1S/C32H43Cl2FN4O2/c1-4-22(21-37(2)3)17-25-18-26(33)9-10-28(25)23-11-15-38(16-12-23)31(40)30(36-32(41)39-13-5-6-14-39)19-24-7-8-27(34)20-29(24)35/h7-10,18,20,22-23,30H,4-6,11-17,19,21H2,1-3H3,(H,36,41)/t22-,30-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?
N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 605.63 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[4-chloro-2-[(2R)-2-[(dimethylamino)methyl]butyl]phenyl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58222017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).