N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C27H26N2O — CID 43919649

IUPACN-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C27H26N2O/c30-27(28-25-15-14-20-7-1-2-9-22(20)17-25)24-12-6-16-29(19-24)18-23-11-5-10-21-8-3-4-13-26(21)23/h1-5,7-11,13-15,17,24H,6,12,16,18-19H2,(H,28,30)
InChIKeyKJCIWTFTGFWQRS-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.84
Rot. Bonds4

About N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 43919649) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID43919649
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C27H26N2O/c30-27(28-25-15-14-20-7-1-2-9-22(20)17-25)24-12-6-16-29(19-24)18-23-11-5-10-21-8-3-4-13-26(21)23/h1-5,7-11,13-15,17,24H,6,12,16,18-19H2,(H,28,30)
InChIKeyKJCIWTFTGFWQRS-UHFFFAOYSA-N
XLogP5.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43924471
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 43919649) is N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is O=C(Nc1ccc2ccccc2c1)C1CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KJCIWTFTGFWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c30-27(28-25-15-14-20-7-1-2-9-22(20)17-25)24-12-6-16-29(19-24)18-23-11-5-10-21-8-3-4-13-26(21)23/h1-5,7-11,13-15,17,24H,6,12,16,18-19H2,(H,28,30).
What are the key properties of N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).