(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C22H36N4O — CID 97132360

IUPAC(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCCCCC1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C22H36N4O/c1-18(22(27)25-12-4-2-3-5-13-25)24-14-9-20(10-15-24)21-23-11-16-26(21)17-19-7-6-8-19/h11,16,18-20H,2-10,12-15,17H2,1H3/t18-/m1/s1
InChIKeyIMOQMNMPBXTHSF-GOSISDBHSA-N
MW372.56 g/mol
LogP3.65
Rot. Bonds5

About (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 97132360) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID97132360
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCCCCC1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C22H36N4O/c1-18(22(27)25-12-4-2-3-5-13-25)24-14-9-20(10-15-24)21-23-11-16-26(21)17-19-7-6-8-19/h11,16,18-20H,2-10,12-15,17H2,1H3/t18-/m1/s1
InChIKeyIMOQMNMPBXTHSF-GOSISDBHSA-N
XLogP3.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97280081
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 72851264
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72863467
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72884432

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 97132360) is (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCCCCC1)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is IMOQMNMPBXTHSF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H36N4O/c1-18(22(27)25-12-4-2-3-5-13-25)24-14-9-20(10-15-24)21-23-11-16-26(21)17-19-7-6-8-19/h11,16,18-20H,2-10,12-15,17H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 372.56 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97132360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).