(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one

C14H21N5O2 — CID 95736480

IUPAC(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1CC[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-4-11(7-13(17)20)14(21)18-5-2-3-12(8-18)19-10-15-9-16-19/h9-12H,2-8H2,1H3/t11-,12+/m0/s1
InChIKeyXDCFWCILXRZMAF-NWDGAFQWSA-N
MW291.35 g/mol
LogP0.31
Rot. Bonds2

About (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one

(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 95736480) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID95736480
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1CC[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-17-6-4-11(7-13(17)20)14(21)18-5-2-3-12(8-18)19-10-15-9-16-19/h9-12H,2-8H2,1H3/t11-,12+/m0/s1
InChIKeyXDCFWCILXRZMAF-NWDGAFQWSA-N
XLogP0.31
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736478
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869090
[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840629
(4S)-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95761295
[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840655

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one (CID 95736480) is (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one is CN1CC[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is XDCFWCILXRZMAF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-6-4-11(7-13(17)20)14(21)18-5-2-3-12(8-18)19-10-15-9-16-19/h9-12H,2-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one?
(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 95736480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).