N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide

C30H29N3O2 — CID 42756994

IUPACN-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C30H29N3O2/c34-29(31-21-22-10-3-1-4-11-22)27-20-24(16-17-28(27)33-18-7-2-8-19-33)32-30(35)26-15-9-13-23-12-5-6-14-25(23)26/h1,3-6,9-17,20H,2,7-8,18-19,21H2,(H,31,34)(H,32,35)
InChIKeyFSHGTDLTUTUJKM-UHFFFAOYSA-N
MW463.58 g/mol
LogP6.01
Rot. Bonds6

About N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide

N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide (PubChem CID 42756994) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
PubChem CID42756994
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC NameN-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C30H29N3O2/c34-29(31-21-22-10-3-1-4-11-22)27-20-24(16-17-28(27)33-18-7-2-8-19-33)32-30(35)26-15-9-13-23-12-5-6-14-25(23)26/h1,3-6,9-17,20H,2,7-8,18-19,21H2,(H,31,34)(H,32,35)
InChIKeyFSHGTDLTUTUJKM-UHFFFAOYSA-N
XLogP6.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
N-benzyl-5-[(4-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide (CID 42756994) is N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide is O=C(NCc1ccccc1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1.
What is the InChIKey of N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The InChIKey is FSHGTDLTUTUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c34-29(31-21-22-10-3-1-4-11-22)27-20-24(16-17-28(27)33-18-7-2-8-19-33)32-30(35)26-15-9-13-23-12-5-6-14-25(23)26/h1,3-6,9-17,20H,2,7-8,18-19,21H2,(H,31,34)(H,32,35).
What are the key properties of N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).