2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide

C27H33F2N3O2 — CID 91493148

IUPAC2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCN1CCC(c2ccccc2)CC1)(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C27H33F2N3O2/c1-27(32-16-5-9-25(32)33,22-10-11-23(28)24(29)19-22)26(34)30-14-6-15-31-17-12-21(13-18-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19,21H,5-6,9,12-18H2,1H3,(H,30,34)
InChIKeyZWXXPHXZRDQDLR-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.19
Rot. Bonds8

About 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide

2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide (PubChem CID 91493148) has the molecular formula C27H33F2N3O2 and a molecular weight of 469.58 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide
PubChem CID91493148
Molecular FormulaC27H33F2N3O2
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC Name2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCN1CCC(c2ccccc2)CC1)(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C27H33F2N3O2/c1-27(32-16-5-9-25(32)33,22-10-11-23(28)24(29)19-22)26(34)30-14-6-15-31-17-12-21(13-18-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19,21H,5-6,9,12-18H2,1H3,(H,30,34)
InChIKeyZWXXPHXZRDQDLR-UHFFFAOYSA-N
XLogP4.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
CID 10458014
6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-3-(1-phenylethyl)-1,3-diazinane-1-carboxamide
CID 20709294
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485
(2S,4S)-2-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-methyl-6-oxopiperidine-1-carboxamide;hydrochloride
CID 70239987
(6S)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinane-1-carboxamide;hydrochloride
CID 70237886
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
(5S,6S)-5-cyclopropyl-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-diazinane-1-carboxamide
CID 10301347
benzenesulfonic acid;(4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide;molecular iodine
CID 158828403
2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
CID 141092517
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
tert-butyl N-[2-[[2,2-bis(4-chlorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]amino]-2-oxoethyl]carbamate
CID 70100459

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide (CID 91493148) is 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide is CC(C(=O)NCCCN1CCC(c2ccccc2)CC1)(c1ccc(F)c(F)c1)N1CCCC1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide?
The InChIKey is ZWXXPHXZRDQDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O2/c1-27(32-16-5-9-25(32)33,22-10-11-23(28)24(29)19-22)26(34)30-14-6-15-31-17-12-21(13-18-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19,21H,5-6,9,12-18H2,1H3,(H,30,34).
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide?
2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide has a molecular weight of 469.58 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 91493148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).