1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one

C14H23N3O2 — CID 155772649

IUPAC1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCN(C)[C@@H]1CCC(C(=O)CC(O)c2nccn2C)C1
InChIInChI=1S/C14H23N3O2/c1-16(2)11-5-4-10(8-11)12(18)9-13(19)14-15-6-7-17(14)3/h6-7,10-11,13,19H,4-5,8-9H2,1-3H3/t10?,11-,13?/m1/s1
InChIKeySFSZJOLMUJEQDP-QWKFWESOSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds5

About 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one

1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 155772649) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID155772649
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCN(C)[C@@H]1CCC(C(=O)CC(O)c2nccn2C)C1
InChIInChI=1S/C14H23N3O2/c1-16(2)11-5-4-10(8-11)12(18)9-13(19)14-15-6-7-17(14)3/h6-7,10-11,13,19H,4-5,8-9H2,1-3H3/t10?,11-,13?/m1/s1
InChIKeySFSZJOLMUJEQDP-QWKFWESOSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-hydroxy-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 139544034
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131478
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate
CID 167726332
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one (CID 155772649) is 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one is CN(C)[C@@H]1CCC(C(=O)CC(O)c2nccn2C)C1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is SFSZJOLMUJEQDP-QWKFWESOSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)11-5-4-10(8-11)12(18)9-13(19)14-15-6-7-17(14)3/h6-7,10-11,13,19H,4-5,8-9H2,1-3H3/t10?,11-,13?/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one?
1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)cyclopentyl]-3-hydroxy-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 155772649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).