1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone

C20H26N4O — CID 97269070

IUPAC1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H26N4O/c25-19(13-18-8-1-2-9-21-18)23-11-4-7-17(15-23)20-22-10-12-24(20)14-16-5-3-6-16/h1-2,8-10,12,16-17H,3-7,11,13-15H2/t17-/m0/s1
InChIKeyRTULSVILOGDVBI-KRWDZBQOSA-N
MW338.46 g/mol
LogP3.03
Rot. Bonds5

About 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 97269070) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID97269070
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C20H26N4O/c25-19(13-18-8-1-2-9-21-18)23-11-4-7-17(15-23)20-22-10-12-24(20)14-16-5-3-6-16/h1-2,8-10,12,16-17H,3-7,11,13-15H2/t17-/m0/s1
InChIKeyRTULSVILOGDVBI-KRWDZBQOSA-N
XLogP3.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97187343
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 72908366
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 97269070) is 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCC[C@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is RTULSVILOGDVBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c25-19(13-18-8-1-2-9-21-18)23-11-4-7-17(15-23)20-22-10-12-24(20)14-16-5-3-6-16/h1-2,8-10,12,16-17H,3-7,11,13-15H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 338.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97269070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).