N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide

C17H25ClN2O — CID 81357228

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-3-8-17(9-11-19-12-10-17)16(21)20-13(2)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDPKYEWFMCNWEIG-CYBMUJFWSA-N
MW308.85 g/mol
LogP3.69
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide (PubChem CID 81357228) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
PubChem CID81357228
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-3-8-17(9-11-19-12-10-17)16(21)20-13(2)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDPKYEWFMCNWEIG-CYBMUJFWSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide (CID 81357228) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is DPKYEWFMCNWEIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-8-17(9-11-19-12-10-17)16(21)20-13(2)14-4-6-15(18)7-5-14/h4-7,13,19H,3,8-12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 81357228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).