[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C22H27N3O — CID 70748304

IUPAC[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC(c2nccn2CC2CC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-21(22(10-11-22)19-6-2-1-3-7-19)25-13-4-5-18(16-25)20-23-12-14-24(20)15-17-8-9-17/h1-3,6-7,12,14,17-18H,4-5,8-11,13,15-16H2
InChIKeyDFHPJCABBPTYQS-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.73
Rot. Bonds5

About [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 70748304) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID70748304
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC(c2nccn2CC2CC2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-21(22(10-11-22)19-6-2-1-3-7-19)25-13-4-5-18(16-25)20-23-12-14-24(20)15-17-8-9-17/h1-3,6-7,12,14,17-18H,4-5,8-11,13,15-16H2
InChIKeyDFHPJCABBPTYQS-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 97191139
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97278039
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 70748304) is [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCCC(c2nccn2CC2CC2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is DFHPJCABBPTYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21(22(10-11-22)19-6-2-1-3-7-19)25-13-4-5-18(16-25)20-23-12-14-24(20)15-17-8-9-17/h1-3,6-7,12,14,17-18H,4-5,8-11,13,15-16H2.
What are the key properties of [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 70748304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).