3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide

C24H32N4O2 — CID 176713165

IUPAC3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
SMILESCNC(=O)N1CC(C)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1
InChIInChI=1S/C24H32N4O2/c1-16-4-6-19-7-5-18(12-20(19)10-16)13-26-24(30)28(21-8-9-21)22-11-17(2)14-27(15-22)23(29)25-3/h4-7,10,12,17,21-22H,8-9,11,13-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIKMRGVDJTQVMOS-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.87
Rot. Bonds4

About 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide

3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide (PubChem CID 176713165) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
PubChem CID176713165
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
SMILESCNC(=O)N1CC(C)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1
InChIInChI=1S/C24H32N4O2/c1-16-4-6-19-7-5-18(12-20(19)10-16)13-26-24(30)28(21-8-9-21)22-11-17(2)14-27(15-22)23(29)25-3/h4-7,10,12,17,21-22H,8-9,11,13-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyIKMRGVDJTQVMOS-UHFFFAOYSA-N
XLogP3.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
CID 176713112
3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176713128
6-[[[cyclopropyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]carbamoyl]amino]methyl]-N-[2-[(7-fluoronaphthalen-2-yl)methylcarbamoyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]amino]cyclopropyl]naphthalene-2-carbonitrilium
CID 176713139
(3R,5S)-3-[(6-chloro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
CID 176708366
(5S)-3-[(4-cyano-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-5-fluoro-N-methylpiperidine-1-carboxamide
CID 165119853
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
CID 176708224
(3R,5R)-3-(cyanomethyl)-5-[cyclopropyl-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091642
(5R)-5-[(4-bromo-2-fluorophenyl)methylcarbamoyl-cyclopropylamino]-3-fluoro-3-hydroxy-N-methylpiperidine-1-carboxamide
CID 174347304
3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 171091674
[5-[cyclopropyl-[[2-fluoro-4-(2-fluoropropan-2-yloxy)phenyl]methylcarbamoyl]amino]-1-(methylcarbamoyl)piperidin-3-yl] 2-aminoacetate
CID 171091890
(3R,5S)-3-[cyclopropyl-[[2,5-difluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 171091808

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide (CID 176713165) is 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide is CNC(=O)N1CC(C)CC(N(C(=O)NCc2ccc3ccc(C)cc3c2)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide?
The InChIKey is IKMRGVDJTQVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-4-6-19-7-5-18(12-20(19)10-16)13-26-24(30)28(21-8-9-21)22-11-17(2)14-27(15-22)23(29)25-3/h4-7,10,12,17,21-22H,8-9,11,13-15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide?
3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 176713165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).