N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C28H32N2O2 — CID 27853385

IUPACN-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-20(2)19-26(22-10-4-3-5-11-22)29-27(31)23-15-17-30(18-16-23)28(32)25-14-8-12-21-9-6-7-13-24(21)25/h3-14,20,23,26H,15-19H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyKBWAVFVIZJEUBO-AREMUKBSSA-N
MW428.58 g/mol
LogP5.60
Rot. Bonds6

About N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 27853385) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID27853385
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-20(2)19-26(22-10-4-3-5-11-22)29-27(31)23-15-17-30(18-16-23)28(32)25-14-8-12-21-9-6-7-13-24(21)25/h3-14,20,23,26H,15-19H2,1-2H3,(H,29,31)/t26-/m1/s1
InChIKeyKBWAVFVIZJEUBO-AREMUKBSSA-N
XLogP5.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
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-(1-aminohexan-2-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119665465
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27418677
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025097
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 46776584

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 27853385) is N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is KBWAVFVIZJEUBO-AREMUKBSSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-20(2)19-26(22-10-4-3-5-11-22)29-27(31)23-15-17-30(18-16-23)28(32)25-14-8-12-21-9-6-7-13-24(21)25/h3-14,20,23,26H,15-19H2,1-2H3,(H,29,31)/t26-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).