[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C16H27N5O — CID 100869090

IUPAC[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)20-9-4-3-7-15(20)16(22)19-8-5-6-14(10-19)21-12-17-11-18-21/h11-15H,3-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyANAOZOLAMWGYMQ-CABCVRRESA-N
MW305.43 g/mol
LogP1.70
Rot. Bonds3

About [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 100869090) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID100869090
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)20-9-4-3-7-15(20)16(22)19-8-5-6-14(10-19)21-12-17-11-18-21/h11-15H,3-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyANAOZOLAMWGYMQ-CABCVRRESA-N
XLogP1.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
[(1R,2R)-2-cyclohexylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776605
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736480
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736478
[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100837164
2-(2-methylpropylsulfonyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736565

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 100869090) is [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is ANAOZOLAMWGYMQ-CABCVRRESA-N. The full InChI is InChI=1S/C16H27N5O/c1-13(2)20-9-4-3-7-15(20)16(22)19-8-5-6-14(10-19)21-12-17-11-18-21/h11-15H,3-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 305.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).