1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

C22H29N3O2 — CID 72863467

IUPAC1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-20-8-3-2-7-19(20)15-21(26)24-12-9-18(10-13-24)22-23-11-14-25(22)16-17-5-4-6-17/h2-3,7-8,11,14,17-18H,4-6,9-10,12-13,15-16H2,1H3
InChIKeyDMNVQGSVSGLSHG-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.64
Rot. Bonds6

About 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 72863467) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID72863467
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-27-20-8-3-2-7-19(20)15-21(26)24-12-9-18(10-13-24)22-23-11-14-25(22)16-17-5-4-6-17/h2-3,7-8,11,14,17-18H,4-6,9-10,12-13,15-16H2,1H3
InChIKeyDMNVQGSVSGLSHG-UHFFFAOYSA-N
XLogP3.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72884432
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 70735365
1-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72932896
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 72863467) is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is DMNVQGSVSGLSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-20-8-3-2-7-19(20)15-21(26)24-12-9-18(10-13-24)22-23-11-14-25(22)16-17-5-4-6-17/h2-3,7-8,11,14,17-18H,4-6,9-10,12-13,15-16H2,1H3.
What are the key properties of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.64, 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]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 72863467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).