1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

C20H29N3O2 — CID 119285166

IUPAC1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESNCc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c21-15-17-5-8-18(9-6-17)20(25)23-13-11-22(12-14-23)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15,21H2
InChIKeyIVUFLMGZXVPLNY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 119285166) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID119285166
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESNCc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c21-15-17-5-8-18(9-6-17)20(25)23-13-11-22(12-14-23)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15,21H2
InChIKeyIVUFLMGZXVPLNY-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
CID 34429507
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 166370448
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 30854834
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55915941
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108533931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 119285166) is 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is NCc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is IVUFLMGZXVPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-15-17-5-8-18(9-6-17)20(25)23-13-11-22(12-14-23)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15,21H2.
What are the key properties of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 343.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 119285166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).