(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C32H37N3O2 — CID 58025554

IUPAC(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCNC(=O)[C@]1(c2ccccc2)CC[C@@H](CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C32H37N3O2/c1-2-33-31(37)32(26-13-7-4-8-14-26)20-17-25(28-15-9-10-16-29(28)32)23-35-21-18-27(19-22-35)34-30(36)24-11-5-3-6-12-24/h3-16,25,27H,2,17-23H2,1H3,(H,33,37)(H,34,36)/t25-,32-/m0/s1
InChIKeyGPJFTAOXRFZELI-UKJJDJLKSA-N
MW495.67 g/mol
LogP4.88
Rot. Bonds7

About (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide

(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 58025554) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID58025554
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCNC(=O)[C@]1(c2ccccc2)CC[C@@H](CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C32H37N3O2/c1-2-33-31(37)32(26-13-7-4-8-14-26)20-17-25(28-15-9-10-16-29(28)32)23-35-21-18-27(19-22-35)34-30(36)24-11-5-3-6-12-24/h3-16,25,27H,2,17-23H2,1H3,(H,33,37)(H,34,36)/t25-,32-/m0/s1
InChIKeyGPJFTAOXRFZELI-UKJJDJLKSA-N
XLogP4.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl (1S)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl 4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 157161340
3-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]propanoic acid
CID 58025467
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 58025530
ethyl (1S,4S)-4-(5-benzamidopentanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150736
ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 67149536
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
CID 167788597
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 58025554) is (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CCNC(=O)[C@]1(c2ccccc2)CC[C@@H](CN2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is GPJFTAOXRFZELI-UKJJDJLKSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-2-33-31(37)32(26-13-7-4-8-14-26)20-17-25(28-15-9-10-16-29(28)32)23-35-21-18-27(19-22-35)34-30(36)24-11-5-3-6-12-24/h3-16,25,27H,2,17-23H2,1H3,(H,33,37)(H,34,36)/t25-,32-/m0/s1.
What are the key properties of (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 58025554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).