N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide

C19H30N2O — CID 5127032

IUPACN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22)
InChIKeyFENCWBAKEAQKTN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.25
Rot. Bonds7

About N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide

N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 5127032) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID5127032
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22)
InChIKeyFENCWBAKEAQKTN-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724208
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide (CID 5127032) is N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is FENCWBAKEAQKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide?
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 5127032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).