N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide

C32H33N3O2 — CID 4621165

IUPACN-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C32H33N3O2/c1-23-17-20-35(21-18-23)30-15-14-26(22-29(30)31(36)33-19-16-24-8-3-2-4-9-24)34-32(37)28-13-7-11-25-10-5-6-12-27(25)28/h2-15,22-23H,16-21H2,1H3,(H,33,36)(H,34,37)
InChIKeyZDVQOQWZCMWPSI-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.30
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 4621165) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID4621165
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C32H33N3O2/c1-23-17-20-35(21-18-23)30-15-14-26(22-29(30)31(36)33-19-16-24-8-3-2-4-9-24)34-32(37)28-13-7-11-25-10-5-6-12-27(25)28/h2-15,22-23H,16-21H2,1H3,(H,33,36)(H,34,37)
InChIKeyZDVQOQWZCMWPSI-UHFFFAOYSA-N
XLogP6.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.30
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

5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067247
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42757099
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661823
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 4621165) is N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide is CC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is ZDVQOQWZCMWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-23-17-20-35(21-18-23)30-15-14-26(22-29(30)31(36)33-19-16-24-8-3-2-4-9-24)34-32(37)28-13-7-11-25-10-5-6-12-27(25)28/h2-15,22-23H,16-21H2,1H3,(H,33,36)(H,34,37).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4621165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).