N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

C22H27N5O — CID 97282563

IUPACN-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCc1nncn1CCN1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H27N5O/c1-17-25-24-16-27(17)13-12-26-11-5-6-18(15-26)14-23-22(28)21-10-4-8-19-7-2-3-9-20(19)21/h2-4,7-10,16,18H,5-6,11-15H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyCTVMGPSDZVYHMO-SFHVURJKSA-N
MW377.49 g/mol
LogP2.88
Rot. Bonds6

About N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 97282563) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID97282563
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCc1nncn1CCN1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H27N5O/c1-17-25-24-16-27(17)13-12-26-11-5-6-18(15-26)14-23-22(28)21-10-4-8-19-7-2-3-9-20(19)21/h2-4,7-10,16,18H,5-6,11-15H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyCTVMGPSDZVYHMO-SFHVURJKSA-N
XLogP2.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118795747
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 97282563) is N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is Cc1nncn1CCN1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is CTVMGPSDZVYHMO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-25-24-16-27(17)13-12-26-11-5-6-18(15-26)14-23-22(28)21-10-4-8-19-7-2-3-9-20(19)21/h2-4,7-10,16,18H,5-6,11-15H2,1H3,(H,23,28)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97282563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).