N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide

C18H27ClN2O — CID 95158904

IUPACN-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O/c1-3-4-10-20-18(22)15-8-11-21(12-9-15)14(2)16-6-5-7-17(19)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyGPTHKQKXGFHOMJ-CQSZACIVSA-N
MW322.88 g/mol
LogP4.03
Rot. Bonds6

About N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide

N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 95158904) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID95158904
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O/c1-3-4-10-20-18(22)15-8-11-21(12-9-15)14(2)16-6-5-7-17(19)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyGPTHKQKXGFHOMJ-CQSZACIVSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide (CID 95158904) is N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GPTHKQKXGFHOMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-3-4-10-20-18(22)15-8-11-21(12-9-15)14(2)16-6-5-7-17(19)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide?
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 322.88 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95158904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).