(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

C16H22N6O — CID 129368215

IUPAC(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)n1cncn1
InChIInChI=1S/C16H22N6O/c1-13(22-12-18-11-19-22)16(23)20-15-4-8-21(9-5-15)10-14-2-6-17-7-3-14/h2-3,6-7,11-13,15H,4-5,8-10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAFZSBICVXXSKOL-ZDUSSCGKSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds5

About (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 129368215) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID129368215
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)n1cncn1
InChIInChI=1S/C16H22N6O/c1-13(22-12-18-11-19-22)16(23)20-15-4-8-21(9-5-15)10-14-2-6-17-7-3-14/h2-3,6-7,11-13,15H,4-5,8-10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAFZSBICVXXSKOL-ZDUSSCGKSA-N
XLogP1.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60613965
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
N-[(4S,5S)-5-hydroxy-1-(pyridin-4-ylmethyl)azepan-4-yl]-2-methylpropanamide
CID 110126651
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 129368215) is (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)n1cncn1.
What is the InChIKey of (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AFZSBICVXXSKOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(22-12-18-11-19-22)16(23)20-15-4-8-21(9-5-15)10-14-2-6-17-7-3-14/h2-3,6-7,11-13,15H,4-5,8-10H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 129368215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).