3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one

C25H31N3O3 — CID 30854834

IUPAC3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1
InChIInChI=1S/C25H31N3O3/c29-24(12-7-20-4-1-2-5-20)27-14-16-28(17-15-27)25(30)22-8-10-23(11-9-22)31-19-21-6-3-13-26-18-21/h3,6,8-11,13,18,20H,1-2,4-5,7,12,14-17,19H2
InChIKeyFWGLSFJIDKALMN-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.92
Rot. Bonds7

About 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 30854834) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
PubChem CID30854834
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1
InChIInChI=1S/C25H31N3O3/c29-24(12-7-20-4-1-2-5-20)27-14-16-28(17-15-27)25(30)22-8-10-23(11-9-22)31-19-21-6-3-13-26-18-21/h3,6,8-11,13,18,20H,1-2,4-5,7,12,14-17,19H2
InChIKeyFWGLSFJIDKALMN-UHFFFAOYSA-N
XLogP3.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
[3-(3-methylimidazol-4-yl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 167791002
1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 58347929
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
N-[[(2S)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942937
N-[[(2R)-1-[4-(pyridin-3-ylmethoxy)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51942938
1-[4-(4-pentoxybenzoyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347771
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one (CID 30854834) is 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is FWGLSFJIDKALMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(12-7-20-4-1-2-5-20)27-14-16-28(17-15-27)25(30)22-8-10-23(11-9-22)31-19-21-6-3-13-26-18-21/h3,6,8-11,13,18,20H,1-2,4-5,7,12,14-17,19H2.
What are the key properties of 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 421.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 30854834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).