N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide

C20H32N2O — CID 119316991

IUPACN-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)C1CCNCC1
InChIInChI=1S/C20H32N2O/c1-3-8-19(16-17-9-6-5-7-10-17)22(15-4-2)20(23)18-11-13-21-14-12-18/h5-7,9-10,18-19,21H,3-4,8,11-16H2,1-2H3
InChIKeyKUIUKNNBRXPAKZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.64
Rot. Bonds8

About N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide

N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 119316991) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide
PubChem CID119316991
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)C1CCNCC1
InChIInChI=1S/C20H32N2O/c1-3-8-19(16-17-9-6-5-7-10-17)22(15-4-2)20(23)18-11-13-21-14-12-18/h5-7,9-10,18-19,21H,3-4,8,11-16H2,1-2H3
InChIKeyKUIUKNNBRXPAKZ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
CID 119316989
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79008172
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide (CID 119316991) is N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide is CCCC(Cc1ccccc1)N(CCC)C(=O)C1CCNCC1.
What is the InChIKey of N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is KUIUKNNBRXPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-8-19(16-17-9-6-5-7-10-17)22(15-4-2)20(23)18-11-13-21-14-12-18/h5-7,9-10,18-19,21H,3-4,8,11-16H2,1-2H3.
What are the key properties of N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide?
N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 316.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentan-2-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 119316991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).