N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide

C18H28N2O — CID 81367899

IUPACN-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccc(C)c2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-4-8-18(9-11-19-12-10-18)17(21)20-15(3)16-7-5-6-14(2)13-16/h5-7,13,15,19H,4,8-12H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyWFGJZRUDDZBRNU-OAHLLOKOSA-N
MW288.44 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide

N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide (PubChem CID 81367899) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
PubChem CID81367899
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccc(C)c2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-4-8-18(9-11-19-12-10-18)17(21)20-15(3)16-7-5-6-14(2)13-16/h5-7,13,15,19H,4,8-12H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyWFGJZRUDDZBRNU-OAHLLOKOSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide (CID 81367899) is N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N[C@H](C)c2cccc(C)c2)CCNCC1.
What is the InChIKey of N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is WFGJZRUDDZBRNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-18(9-11-19-12-10-18)17(21)20-15(3)16-7-5-6-14(2)13-16/h5-7,13,15,19H,4,8-12H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide?
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 81367899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).