N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide

C27H31N3O2 — CID 71203996

IUPACN,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cc1C(=O)N(C)C
InChIInChI=1S/C27H31N3O2/c1-18-11-12-20(17-23(18)26(31)29(3)4)28-24-14-13-22(25-19(2)9-8-10-21(24)25)27(32)30-15-6-5-7-16-30/h8-14,17,28H,5-7,15-16H2,1-4H3
InChIKeyMSFXYBCXKFORRS-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.53
Rot. Bonds4

About N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide

N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide (PubChem CID 71203996) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
PubChem CID71203996
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cc1C(=O)N(C)C
InChIInChI=1S/C27H31N3O2/c1-18-11-12-20(17-23(18)26(31)29(3)4)28-24-14-13-22(25-19(2)9-8-10-21(24)25)27(32)30-15-6-5-7-16-30/h8-14,17,28H,5-7,15-16H2,1-4H3
InChIKeyMSFXYBCXKFORRS-UHFFFAOYSA-N
XLogP5.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide 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

2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71186269
4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
CID 71186183
[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
CID 71185988
3-[[5-methyl-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186178
3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
CID 71186195
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
CID 71186080
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 4310534
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The IUPAC name of N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide (CID 71203996) is N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The canonical SMILES for N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide is Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
The InChIKey is MSFXYBCXKFORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-18-11-12-20(17-23(18)26(31)29(3)4)28-24-14-13-22(25-19(2)9-8-10-21(24)25)27(32)30-15-6-5-7-16-30/h8-14,17,28H,5-7,15-16H2,1-4H3.
What are the key properties of N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide?
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide has a molecular weight of 429.56 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide is sourced from PubChem (CID 71203996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).