(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one

C18H29N3O3 — CID 95283105

IUPAC(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one
SMILESCC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C18H29N3O3/c1-14(2)17(24-13-16-7-4-11-23-16)18(22)20-9-3-6-15(12-20)21-10-5-8-19-21/h5,8,10,14-17H,3-4,6-7,9,11-13H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyNZPSUXBZWNKWJX-IKGGRYGDSA-N
MW335.45 g/mol
LogP2.27
Rot. Bonds6

About (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one

(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one (PubChem CID 95283105) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one
PubChem CID95283105
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one
SMILESCC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C18H29N3O3/c1-14(2)17(24-13-16-7-4-11-23-16)18(22)20-9-3-6-15(12-20)21-10-5-8-19-21/h5,8,10,14-17H,3-4,6-7,9,11-13H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyNZPSUXBZWNKWJX-IKGGRYGDSA-N
XLogP2.27
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283086
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283084
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
(2R)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butan-1-one
CID 95318150
(2S)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129461447
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
(2S)-3-methyl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
CID 129448774
(2R)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butan-1-one
CID 95350843
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95348972
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one (CID 95283105) is (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one is CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one?
The InChIKey is NZPSUXBZWNKWJX-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(2)17(24-13-16-7-4-11-23-16)18(22)20-9-3-6-15(12-20)21-10-5-8-19-21/h5,8,10,14-17H,3-4,6-7,9,11-13H2,1-2H3/t15-,16+,17+/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one?
(2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one has a molecular weight of 335.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]butan-1-one is sourced from PubChem (CID 95283105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).