(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one

C20H29N5O — CID 97280081

IUPAC(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(c2nccn2CC2CCC2)CC1)n1cccn1
InChIInChI=1S/C20H29N5O/c1-2-18(25-11-4-9-22-25)20(26)23-12-7-17(8-13-23)19-21-10-14-24(19)15-16-5-3-6-16/h4,9-11,14,16-18H,2-3,5-8,12-13,15H2,1H3/t18-/m0/s1
InChIKeyNOHUQTGJEJWCID-SFHVURJKSA-N
MW355.49 g/mol
LogP3.24
Rot. Bonds6

About (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one

(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 97280081) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID97280081
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(c2nccn2CC2CCC2)CC1)n1cccn1
InChIInChI=1S/C20H29N5O/c1-2-18(25-11-4-9-22-25)20(26)23-12-7-17(8-13-23)19-21-10-14-24(19)15-16-5-3-6-16/h4,9-11,14,16-18H,2-3,5-8,12-13,15H2,1H3/t18-/m0/s1
InChIKeyNOHUQTGJEJWCID-SFHVURJKSA-N
XLogP3.24
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 72851264
(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97132360
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72863467
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]-3-pyridin-3-ylpropan-1-one
CID 70735998
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72884432
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
1-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 134697138
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 97280081) is (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one is CC[C@@H](C(=O)N1CCC(c2nccn2CC2CCC2)CC1)n1cccn1.
What is the InChIKey of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is NOHUQTGJEJWCID-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-18(25-11-4-9-22-25)20(26)23-12-7-17(8-13-23)19-21-10-14-24(19)15-16-5-3-6-16/h4,9-11,14,16-18H,2-3,5-8,12-13,15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 97280081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).