4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide

C14H20ClN3O — CID 43767026

IUPAC4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-11(2-4-12)5-8-17-13-6-9-18(10-7-13)14(16)19/h1-4,13,17H,5-10H2,(H2,16,19)
InChIKeyCJHWKVZCTCHSQC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.02
Rot. Bonds4

About 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide

4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide (PubChem CID 43767026) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
PubChem CID43767026
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-11(2-4-12)5-8-17-13-6-9-18(10-7-13)14(16)19/h1-4,13,17H,5-10H2,(H2,16,19)
InChIKeyCJHWKVZCTCHSQC-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxylate
CID 75365665
4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 79762949
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide
CID 75476343
4-(5-hydroxypentylamino)piperidine-1-carboxamide
CID 107302971
(3R)-3-[[(3R)-4-(4-chlorophenyl)-3-methylbutanoyl]amino]pyrrolidine-1-carboxamide
CID 97057305

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide (CID 43767026) is 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide?
The InChIKey is CJHWKVZCTCHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-3-1-11(2-4-12)5-8-17-13-6-9-18(10-7-13)14(16)19/h1-4,13,17H,5-10H2,(H2,16,19).
What are the key properties of 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide?
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 43767026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).