4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one

C15H25N3O — CID 114533376

IUPAC4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
SMILESCn1ccnc1CCC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H25N3O/c1-15(2,12-5-4-8-16-11-12)13(19)6-7-14-17-9-10-18(14)3/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyWVIDOASIJXSZOQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.95
Rot. Bonds5

About 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one

4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one (PubChem CID 114533376) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
PubChem CID114533376
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
SMILESCn1ccnc1CCC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H25N3O/c1-15(2,12-5-4-8-16-11-12)13(19)6-7-14-17-9-10-18(14)3/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyWVIDOASIJXSZOQ-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
4-methyl-1-methylsulfonyl-4-piperidin-3-ylpentan-3-one
CID 116611269
1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529640
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83032301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one?
The IUPAC name of 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one (CID 114533376) is 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one.
What is the SMILES notation for 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one?
The canonical SMILES for 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one is Cn1ccnc1CCC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one?
The InChIKey is WVIDOASIJXSZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,12-5-4-8-16-11-12)13(19)6-7-14-17-9-10-18(14)3/h9-10,12,16H,4-8,11H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one?
4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one has a molecular weight of 263.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one is sourced from PubChem (CID 114533376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).