N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C22H28N2O2 — CID 51239994

IUPACN-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H28N2O2/c1-16(2)12-13-23-21(25)18-9-6-14-24(15-18)22(26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,23,25)
InChIKeyDYOFESHULUFBFE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.85
Rot. Bonds5

About N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 51239994) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID51239994
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H28N2O2/c1-16(2)12-13-23-21(25)18-9-6-14-24(15-18)22(26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,23,25)
InChIKeyDYOFESHULUFBFE-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 134055842
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 51239994) is N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is DYOFESHULUFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)12-13-23-21(25)18-9-6-14-24(15-18)22(26)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51239994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).