cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C19H31N3O — CID 164636841

IUPACcyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)C3CCCC3)C2)n1C(C)C
InChIInChI=1S/C19H31N3O/c1-14(2)22-15(3)12-20-18(22)11-16-7-6-10-21(13-16)19(23)17-8-4-5-9-17/h12,14,16-17H,4-11,13H2,1-3H3/t16-/m1/s1
InChIKeyYDBCCFOSFPZIFS-MRXNPFEDSA-N
MW317.48 g/mol
LogP3.74
Rot. Bonds4

About cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone

cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 164636841) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID164636841
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Namecyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)C3CCCC3)C2)n1C(C)C
InChIInChI=1S/C19H31N3O/c1-14(2)22-15(3)12-20-18(22)11-16-7-6-10-21(13-16)19(23)17-8-4-5-9-17/h12,14,16-17H,4-11,13H2,1-3H3/t16-/m1/s1
InChIKeyYDBCCFOSFPZIFS-MRXNPFEDSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069
Cyclopropyl-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124046107
1-{4-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]piperidino}-2-cyclopentyl-1-ethanone
CID 124047120

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 164636841) is cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1cnc(C[C@H]2CCCN(C(=O)C3CCCC3)C2)n1C(C)C.
What is the InChIKey of cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YDBCCFOSFPZIFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14(2)22-15(3)12-20-18(22)11-16-7-6-10-21(13-16)19(23)17-8-4-5-9-17/h12,14,16-17H,4-11,13H2,1-3H3/t16-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 317.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164636841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).