N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C21H30ClN3O — CID 122571565

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC(CN2CCCC2)C1
InChIInChI=1S/C21H30ClN3O/c22-19-7-5-18(6-8-19)21(9-10-21)16-23-20(26)25-13-3-4-17(15-25)14-24-11-1-2-12-24/h5-8,17H,1-4,9-16H2,(H,23,26)
InChIKeyBBNNKBNOHNTXDF-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.89
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 122571565) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID122571565
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC(CN2CCCC2)C1
InChIInChI=1S/C21H30ClN3O/c22-19-7-5-18(6-8-19)21(9-10-21)16-23-20(26)25-13-3-4-17(15-25)14-24-11-1-2-12-24/h5-8,17H,1-4,9-16H2,(H,23,26)
InChIKeyBBNNKBNOHNTXDF-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51505536
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96517372
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
[1-(4-chlorophenyl)cyclobutyl]-[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
CID 11477295
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 122571565) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC(CN2CCCC2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is BBNNKBNOHNTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c22-19-7-5-18(6-8-19)21(9-10-21)16-23-20(26)25-13-3-4-17(15-25)14-24-11-1-2-12-24/h5-8,17H,1-4,9-16H2,(H,23,26).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 375.94 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122571565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).