N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide

C32H33N3O2 — CID 93098297

IUPACN-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C32H33N3O2/c1-22-17-19-35(20-18-22)30-16-15-26(21-29(30)32(37)33-23(2)24-9-4-3-5-10-24)34-31(36)28-14-8-12-25-11-6-7-13-27(25)28/h3-16,21-23H,17-20H2,1-2H3,(H,33,37)(H,34,36)/t23-/m1/s1
InChIKeyQHXAZNQNVHWAAC-HSZRJFAPSA-N
MW491.64 g/mol
LogP6.82
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide

N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide (PubChem CID 93098297) 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-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
PubChem CID93098297
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)N[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C32H33N3O2/c1-22-17-19-35(20-18-22)30-16-15-26(21-29(30)32(37)33-23(2)24-9-4-3-5-10-24)34-31(36)28-14-8-12-25-11-6-7-13-27(25)28/h3-16,21-23H,17-20H2,1-2H3,(H,33,37)(H,34,36)/t23-/m1/s1
InChIKeyQHXAZNQNVHWAAC-HSZRJFAPSA-N
XLogP6.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.82
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

2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide (CID 93098297) is N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide is CC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)N[C@H](C)c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is QHXAZNQNVHWAAC-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-22-17-19-35(20-18-22)30-16-15-26(21-29(30)32(37)33-23(2)24-9-4-3-5-10-24)34-31(36)28-14-8-12-25-11-6-7-13-27(25)28/h3-16,21-23H,17-20H2,1-2H3,(H,33,37)(H,34,36)/t23-/m1/s1.
What are the key properties of N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide?
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 6.82, 6 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-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93098297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).