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

C27H31N3O2 — CID 1066031

IUPACN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C27H31N3O2/c1-3-29(4-2)27(32)24-19-21(15-16-25(24)30-17-8-5-9-18-30)28-26(31)23-14-10-12-20-11-6-7-13-22(20)23/h6-7,10-16,19H,3-5,8-9,17-18H2,1-2H3,(H,28,31)
InChIKeyANYJPDGEVLTYKB-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.56
Rot. Bonds6

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

N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide (PubChem CID 1066031) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
PubChem CID1066031
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C27H31N3O2/c1-3-29(4-2)27(32)24-19-21(15-16-25(24)30-17-8-5-9-18-30)28-26(31)23-14-10-12-20-11-6-7-13-22(20)23/h6-7,10-16,19H,3-5,8-9,17-18H2,1-2H3,(H,28,31)
InChIKeyANYJPDGEVLTYKB-UHFFFAOYSA-N
XLogP5.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide (CID 1066031) is N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide is CCN(CC)C(=O)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1.
What is the InChIKey of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
The InChIKey is ANYJPDGEVLTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-3-29(4-2)27(32)24-19-21(15-16-25(24)30-17-8-5-9-18-30)28-26(31)23-14-10-12-20-11-6-7-13-22(20)23/h6-7,10-16,19H,3-5,8-9,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide?
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1066031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).