N-(1-phenylhexan-3-yl)piperidine-4-carboxamide

C18H28N2O — CID 119334584

IUPACN-(1-phenylhexan-3-yl)piperidine-4-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-6-17(10-9-15-7-4-3-5-8-15)20-18(21)16-11-13-19-14-12-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21)
InChIKeyHDBRAIPESJLHES-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.90
Rot. Bonds7

About N-(1-phenylhexan-3-yl)piperidine-4-carboxamide

N-(1-phenylhexan-3-yl)piperidine-4-carboxamide (PubChem CID 119334584) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(1-phenylhexan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylhexan-3-yl)piperidine-4-carboxamide
PubChem CID119334584
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(1-phenylhexan-3-yl)piperidine-4-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-6-17(10-9-15-7-4-3-5-8-15)20-18(21)16-11-13-19-14-12-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21)
InChIKeyHDBRAIPESJLHES-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-phenylhexan-3-yl)piperidine-4-carboxamide (CID 119334584) is N-(1-phenylhexan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylhexan-3-yl)piperidine-4-carboxamide is CCCC(CCc1ccccc1)NC(=O)C1CCNCC1.
What is the InChIKey of N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The InChIKey is HDBRAIPESJLHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-6-17(10-9-15-7-4-3-5-8-15)20-18(21)16-11-13-19-14-12-16/h3-5,7-8,16-17,19H,2,6,9-14H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhexan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119334584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).