(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide

C15H21N7O — CID 95314174

IUPAC(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H21N7O/c1-12(14(23)20-15-17-5-3-6-18-15)21-7-2-4-13(8-21)9-22-11-16-10-19-22/h3,5-6,10-13H,2,4,7-9H2,1H3,(H,17,18,20,23)/t12-,13-/m0/s1
InChIKeyZKVJFYFTQLADDN-STQMWFEESA-N
MW315.38 g/mol
LogP0.81
Rot. Bonds5

About (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide

(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95314174) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95314174
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H21N7O/c1-12(14(23)20-15-17-5-3-6-18-15)21-7-2-4-13(8-21)9-22-11-16-10-19-22/h3,5-6,10-13H,2,4,7-9H2,1H3,(H,17,18,20,23)/t12-,13-/m0/s1
InChIKeyZKVJFYFTQLADDN-STQMWFEESA-N
XLogP0.81
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95320910
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 95292469
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 71926954
N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95337910
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
CID 97340797

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 95314174) is (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is ZKVJFYFTQLADDN-STQMWFEESA-N. The full InChI is InChI=1S/C15H21N7O/c1-12(14(23)20-15-17-5-3-6-18-15)21-7-2-4-13(8-21)9-22-11-16-10-19-22/h3,5-6,10-13H,2,4,7-9H2,1H3,(H,17,18,20,23)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide?
(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 315.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95314174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).