[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C22H33N5O — CID 72894495

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C22H33N5O/c1-4-27-20(13-19(24-27)16(2)3)22(28)26-11-6-9-18(15-26)21-23-10-12-25(21)14-17-7-5-8-17/h10,12-13,16-18H,4-9,11,14-15H2,1-3H3
InChIKeyDGXMFGXHYCYZCF-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.04
Rot. Bonds6

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 72894495) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID72894495
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C22H33N5O/c1-4-27-20(13-19(24-27)16(2)3)22(28)26-11-6-9-18(15-26)21-23-10-12-25(21)14-17-7-5-8-17/h10,12-13,16-18H,4-9,11,14-15H2,1-3H3
InChIKeyDGXMFGXHYCYZCF-UHFFFAOYSA-N
XLogP4.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72928533
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882569
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 72894495) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is DGXMFGXHYCYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-27-20(13-19(24-27)16(2)3)22(28)26-11-6-9-18(15-26)21-23-10-12-25(21)14-17-7-5-8-17/h10,12-13,16-18H,4-9,11,14-15H2,1-3H3.
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 72894495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).