3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide

C23H27N5O2 — CID 176713128

IUPAC3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(C#N)ccc3c2)C2CC2)C1
InChIInChI=1S/C23H27N5O2/c1-25-22(29)27-10-2-3-21(15-27)28(20-8-9-20)23(30)26-14-17-5-7-18-11-16(13-24)4-6-19(18)12-17/h4-7,11-12,20-21H,2-3,8-10,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyDFHAQXVOVJASFB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.19
Rot. Bonds4

About 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide

3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide (PubChem CID 176713128) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
PubChem CID176713128
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(C#N)ccc3c2)C2CC2)C1
InChIInChI=1S/C23H27N5O2/c1-25-22(29)27-10-2-3-21(15-27)28(20-8-9-20)23(30)26-14-17-5-7-18-11-16(13-24)4-6-19(18)12-17/h4-7,11-12,20-21H,2-3,8-10,14-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyDFHAQXVOVJASFB-UHFFFAOYSA-N
XLogP3.19
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
CID 176713165
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-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
CID 176708224
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
3-[cyclopropyl-[(5-ethyl-1H-indol-2-yl)methylcarbamoyl]amino]piperidine-1-carboxamide
CID 176708330
(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176708435
(3S,5R)-3-cyano-5-[cyclopropyl-[(4-ethyl-2-fluorophenyl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091907
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62269126
2-[methyl-[1-(naphthalen-2-ylmethylcarbamoyl)azepan-4-yl]amino]acetic acid
CID 122000969
(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-cyclopropylpiperidine-1-carboxamide
CID 177106134

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide (CID 176713128) is 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(N(C(=O)NCc2ccc3cc(C#N)ccc3c2)C2CC2)C1.
What is the InChIKey of 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
The InChIKey is DFHAQXVOVJASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-25-22(29)27-10-2-3-21(15-27)28(20-8-9-20)23(30)26-14-17-5-7-18-11-16(13-24)4-6-19(18)12-17/h4-7,11-12,20-21H,2-3,8-10,14-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide?
3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176713128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).