(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one

C15H23N3O2 — CID 95283084

IUPAC(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C15H23N3O2/c1-12(20-11-13-5-6-13)15(19)17-8-2-4-14(10-17)18-9-3-7-16-18/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3/t12-,14+/m1/s1
InChIKeyWQCUZPFZHIUBFC-OCCSQVGLSA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds5

About (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one

(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one (PubChem CID 95283084) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
PubChem CID95283084
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C15H23N3O2/c1-12(20-11-13-5-6-13)15(19)17-8-2-4-14(10-17)18-9-3-7-16-18/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3/t12-,14+/m1/s1
InChIKeyWQCUZPFZHIUBFC-OCCSQVGLSA-N
XLogP1.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283086
(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one
CID 95283105
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023213
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 129339148
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(2S)-2-(cyclopropylmethoxy)-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 95339396
N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide
CID 95158661
2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one
CID 138583469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one (CID 95283084) is (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one is C[C@@H](OCC1CC1)C(=O)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one?
The InChIKey is WQCUZPFZHIUBFC-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(20-11-13-5-6-13)15(19)17-8-2-4-14(10-17)18-9-3-7-16-18/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one?
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).