N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide

C19H29ClN2O — CID 170578676

IUPACN-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide
SMILESCCCC(CC)C(NC(=O)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O/c1-3-9-15(4-2)18(16-10-8-11-17(20)14-16)21-19(23)22-12-6-5-7-13-22/h8,10-11,14-15,18H,3-7,9,12-13H2,1-2H3,(H,21,23)
InChIKeyNZEBQWHKWIPCPV-UHFFFAOYSA-N
MW336.91 g/mol
LogP5.40
Rot. Bonds6

About N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide

N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide (PubChem CID 170578676) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide
PubChem CID170578676
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide
SMILESCCCC(CC)C(NC(=O)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O/c1-3-9-15(4-2)18(16-10-8-11-17(20)14-16)21-19(23)22-12-6-5-7-13-22/h8,10-11,14-15,18H,3-7,9,12-13H2,1-2H3,(H,21,23)
InChIKeyNZEBQWHKWIPCPV-UHFFFAOYSA-N
XLogP5.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide (CID 170578676) is N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide is CCCC(CC)C(NC(=O)N1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide?
The InChIKey is NZEBQWHKWIPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-3-9-15(4-2)18(16-10-8-11-17(20)14-16)21-19(23)22-12-6-5-7-13-22/h8,10-11,14-15,18H,3-7,9,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide?
N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide has a molecular weight of 336.91 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-ethylpentyl]piperidine-1-carboxamide is sourced from PubChem (CID 170578676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).