N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C28H32N2O2 — CID 55430061

IUPACN-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H32N2O2/c1-3-21(2)30(20-22-10-5-4-6-11-22)27(31)24-16-18-29(19-17-24)28(32)26-15-9-13-23-12-7-8-14-25(23)26/h4-15,21,24H,3,16-20H2,1-2H3
InChIKeySXOFYXGXHXTUNY-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.52
Rot. Bonds6

About N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55430061) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55430061
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H32N2O2/c1-3-21(2)30(20-22-10-5-4-6-11-22)27(31)24-16-18-29(19-17-24)28(32)26-15-9-13-23-12-7-8-14-25(23)26/h4-15,21,24H,3,16-20H2,1-2H3
InChIKeySXOFYXGXHXTUNY-UHFFFAOYSA-N
XLogP5.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 113005476
N-[(2S)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27800316
N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27800313
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
4-N-benzyl-1-N,1-N-diethyl-4-N-(1-morpholin-4-ylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 56501899
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
2-[4-[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955156
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 55430074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55430061) is N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is SXOFYXGXHXTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-3-21(2)30(20-22-10-5-4-6-11-22)27(31)24-16-18-29(19-17-24)28(32)26-15-9-13-23-12-7-8-14-25(23)26/h4-15,21,24H,3,16-20H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55430061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).