4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide

C20H29N3O2 — CID 34429507

IUPAC4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-5-17(6-9-18)15-22-11-13-23(14-12-22)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15H2,(H2,21,25)
InChIKeyHPRCVDYNVSAAMI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.40
Rot. Bonds6

About 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide

4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide (PubChem CID 34429507) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
PubChem CID34429507
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-5-17(6-9-18)15-22-11-13-23(14-12-22)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15H2,(H2,21,25)
InChIKeyHPRCVDYNVSAAMI-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
3-cyclopentyl-1-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 78857174
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-3-cyclopentylpropan-1-one;oxalic acid
CID 90483423
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42533137
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
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 55566365
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide (CID 34429507) is 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is HPRCVDYNVSAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)18-8-5-17(6-9-18)15-22-11-13-23(14-12-22)19(24)10-7-16-3-1-2-4-16/h5-6,8-9,16H,1-4,7,10-15H2,(H2,21,25).
What are the key properties of 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34429507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).