N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

C18H26ClN3O — CID 51086745

IUPACN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-17-7-3-2-6-16(17)19)21-12-8-15(9-13-21)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)
InChIKeyLGNPYSSUXIRNAK-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.23
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (PubChem CID 51086745) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
PubChem CID51086745
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-17-7-3-2-6-16(17)19)21-12-8-15(9-13-21)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)
InChIKeyLGNPYSSUXIRNAK-UHFFFAOYSA-N
XLogP3.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide
CID 166185461
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
CID 86928115
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (CID 51086745) is N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is CC(C(=O)Nc1ccccc1Cl)N1CCC(N2CCCC2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The InChIKey is LGNPYSSUXIRNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14(18(23)20-17-7-3-2-6-16(17)19)21-12-8-15(9-13-21)22-10-4-5-11-22/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide has a molecular weight of 335.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 51086745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).