4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide

C20H31N3O2 — CID 109400509

IUPAC4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCCN1CCN(c2ccc(C(=O)N(C)CC3CCCC3O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-22-11-13-23(14-12-22)18-9-7-16(8-10-18)20(25)21(2)15-17-5-4-6-19(17)24/h7-10,17,19,24H,3-6,11-15H2,1-2H3
InChIKeyMOHGNTCAIHQZJO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.06
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide

4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide (PubChem CID 109400509) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
PubChem CID109400509
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCCN1CCN(c2ccc(C(=O)N(C)CC3CCCC3O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-22-11-13-23(14-12-22)18-9-7-16(8-10-18)20(25)21(2)15-17-5-4-6-19(17)24/h7-10,17,19,24H,3-6,11-15H2,1-2H3
InChIKeyMOHGNTCAIHQZJO-UHFFFAOYSA-N
XLogP2.06
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
2-[[4-(4-ethylpiperazin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119359026
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
CID 109397804
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
CID 110003396
N-[4-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 109400174
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 110003398
N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 109399669
6-(cyclopropylmethoxy)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 109400138

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide (CID 109400509) is 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide is CCN1CCN(c2ccc(C(=O)N(C)CC3CCCC3O)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The InChIKey is MOHGNTCAIHQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-22-11-13-23(14-12-22)18-9-7-16(8-10-18)20(25)21(2)15-17-5-4-6-19(17)24/h7-10,17,19,24H,3-6,11-15H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide?
4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 109400509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).