N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C29H30N4O2 — CID 24549009

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C29H30N4O2/c1-20-27(21(2)33(31-20)24-13-4-3-5-14-24)18-30-28(34)23-12-9-17-32(19-23)29(35)26-16-8-11-22-10-6-7-15-25(22)26/h3-8,10-11,13-16,23H,9,12,17-19H2,1-2H3,(H,30,34)
InChIKeyJYNXSVULDHQFAS-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.81
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 24549009) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID24549009
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C29H30N4O2/c1-20-27(21(2)33(31-20)24-13-4-3-5-14-24)18-30-28(34)23-12-9-17-32(19-23)29(35)26-16-8-11-22-10-6-7-15-25(22)26/h3-8,10-11,13-16,23H,9,12,17-19H2,1-2H3,(H,30,34)
InChIKeyJYNXSVULDHQFAS-UHFFFAOYSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
ethyl 1-[N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994600
(3R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40953010
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55585816

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 24549009) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is JYNXSVULDHQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-20-27(21(2)33(31-20)24-13-4-3-5-14-24)18-30-28(34)23-12-9-17-32(19-23)29(35)26-16-8-11-22-10-6-7-15-25(22)26/h3-8,10-11,13-16,23H,9,12,17-19H2,1-2H3,(H,30,34).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24549009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).