1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide

C21H26N2O3 — CID 134048628

IUPAC1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-16(17-6-4-3-5-7-17)14-22-20(24)18-8-11-23(12-9-18)21(25)19-10-13-26-15-19/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyZKRZYQJUBAMWKQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds6

About 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide (PubChem CID 134048628) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
PubChem CID134048628
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-16(17-6-4-3-5-7-17)14-22-20(24)18-8-11-23(12-9-18)21(25)19-10-13-26-15-19/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyZKRZYQJUBAMWKQ-UHFFFAOYSA-N
XLogP3.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
1-(furan-3-carbonyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 35751247
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide (CID 134048628) is 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide is CCC(CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is ZKRZYQJUBAMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-16(17-6-4-3-5-7-17)14-22-20(24)18-8-11-23(12-9-18)21(25)19-10-13-26-15-19/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3,(H,22,24).
What are the key properties of 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 134048628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).