3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

C16H25N3O — CID 19097445

IUPAC3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C16H25N3O/c20-16(6-5-13-3-1-2-4-13)19-9-7-14(8-10-19)15-11-17-12-18-15/h11-14H,1-10H2,(H,17,18)
InChIKeyJLFNIHWKEVKJSW-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.09
Rot. Bonds4

About 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 19097445) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID19097445
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C16H25N3O/c20-16(6-5-13-3-1-2-4-13)19-9-7-14(8-10-19)15-11-17-12-18-15/h11-14H,1-10H2,(H,17,18)
InChIKeyJLFNIHWKEVKJSW-UHFFFAOYSA-N
XLogP3.09
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
CID 154863873
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
CID 172873053
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120684948
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
CID 110091222
3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 90539832
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (CID 19097445) is 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JLFNIHWKEVKJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(6-5-13-3-1-2-4-13)19-9-7-14(8-10-19)15-11-17-12-18-15/h11-14H,1-10H2,(H,17,18).
What are the key properties of 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 19097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).