1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide

C18H26ClN3O2 — CID 70718129

IUPAC1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN3O2/c19-16-8-6-14(7-9-16)3-1-5-17(23)21-10-12-22-11-2-4-15(13-22)18(20)24/h6-9,15H,1-5,10-13H2,(H2,20,24)(H,21,23)
InChIKeyGIEFUOJBTIFACE-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.98
Rot. Bonds8

About 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide

1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide (PubChem CID 70718129) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
PubChem CID70718129
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN3O2/c19-16-8-6-14(7-9-16)3-1-5-17(23)21-10-12-22-11-2-4-15(13-22)18(20)24/h6-9,15H,1-5,10-13H2,(H2,20,24)(H,21,23)
InChIKeyGIEFUOJBTIFACE-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
CID 123375850
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
CID 123226166
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
1-[6-(hydroxyamino)-6-oxohexyl]piperidine-3-carboxamide
CID 175801868
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide (CID 70718129) is 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCNC(=O)CCCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is GIEFUOJBTIFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c19-16-8-6-14(7-9-16)3-1-5-17(23)21-10-12-22-11-2-4-15(13-22)18(20)24/h6-9,15H,1-5,10-13H2,(H2,20,24)(H,21,23).
What are the key properties of 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide?
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 70718129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).