1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C21H28N4O — CID 70735998

IUPAC1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C21H28N4O/c26-20(7-6-17-5-2-10-22-15-17)24-12-8-19(9-13-24)21-23-11-14-25(21)16-18-3-1-4-18/h2,5,10-11,14-15,18-19H,1,3-4,6-9,12-13,16H2
InChIKeyAUKFXEOQUKUWND-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.42
Rot. Bonds6

About 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 70735998) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID70735998
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C21H28N4O/c26-20(7-6-17-5-2-10-22-15-17)24-12-8-19(9-13-24)21-23-11-14-25(21)16-18-3-1-4-18/h2,5,10-11,14-15,18-19H,1,3-4,6-9,12-13,16H2
InChIKeyAUKFXEOQUKUWND-UHFFFAOYSA-N
XLogP3.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 70735365
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 70735998) is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is AUKFXEOQUKUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20(7-6-17-5-2-10-22-15-17)24-12-8-19(9-13-24)21-23-11-14-25(21)16-18-3-1-4-18/h2,5,10-11,14-15,18-19H,1,3-4,6-9,12-13,16H2.
What are the key properties of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 70735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).