N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide

C19H27N5O — CID 119065952

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCCCC2CCc2ccccn2)cnn1C
InChIInChI=1S/C19H27N5O/c1-15-16(14-22-23(15)2)13-21-19(25)24-12-6-4-8-18(24)10-9-17-7-3-5-11-20-17/h3,5,7,11,14,18H,4,6,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyMXKAEMDZXKDFIT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.82
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide (PubChem CID 119065952) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
PubChem CID119065952
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCCCC2CCc2ccccn2)cnn1C
InChIInChI=1S/C19H27N5O/c1-15-16(14-22-23(15)2)13-21-19(25)24-12-6-4-8-18(24)10-9-17-7-3-5-11-20-17/h3,5,7,11,14,18H,4,6,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyMXKAEMDZXKDFIT-UHFFFAOYSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
CID 124880451
(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 125447226
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 119065208
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide (CID 119065952) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide is Cc1c(CNC(=O)N2CCCCC2CCc2ccccn2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is MXKAEMDZXKDFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-16(14-22-23(15)2)13-21-19(25)24-12-6-4-8-18(24)10-9-17-7-3-5-11-20-17/h3,5,7,11,14,18H,4,6,8-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119065952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).