N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide

C16H23ClN2O — CID 63127551

IUPACN-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-2-6-16(7-9-18-10-8-16)15(20)19-12-13-4-3-5-14(17)11-13/h3-5,11,18H,2,6-10,12H2,1H3,(H,19,20)
InChIKeyPHKAUFMRYFXGDU-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.13
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide

N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 63127551) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID63127551
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-2-6-16(7-9-18-10-8-16)15(20)19-12-13-4-3-5-14(17)11-13/h3-5,11,18H,2,6-10,12H2,1H3,(H,19,20)
InChIKeyPHKAUFMRYFXGDU-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide (CID 63127551) is N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCc2cccc(Cl)c2)CCNCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is PHKAUFMRYFXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-6-16(7-9-18-10-8-16)15(20)19-12-13-4-3-5-14(17)11-13/h3-5,11,18H,2,6-10,12H2,1H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63127551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).