3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide

C19H28N4O2 — CID 119899017

IUPAC3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3CCC(N)C3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-7-9-23(10-8-22)18(24)12-14-3-2-4-17(11-14)21-19(25)15-5-6-16(20)13-15/h2-4,11,15-16H,5-10,12-13,20H2,1H3,(H,21,25)
InChIKeyAWUQZIGHTGRBFF-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.07
Rot. Bonds4

About 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 119899017) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
PubChem CID119899017
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)C3CCC(N)C3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-7-9-23(10-8-22)18(24)12-14-3-2-4-17(11-14)21-19(25)15-5-6-16(20)13-15/h2-4,11,15-16H,5-10,12-13,20H2,1H3,(H,21,25)
InChIKeyAWUQZIGHTGRBFF-UHFFFAOYSA-N
XLogP1.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119899019
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119899026
methyl 2-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate
CID 119775531
3-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclopentane-1-carboxamide
CID 119712465
1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 119899053
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide (CID 119899017) is 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide is CN1CCN(C(=O)Cc2cccc(NC(=O)C3CCC(N)C3)c2)CC1.
What is the InChIKey of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is AWUQZIGHTGRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-7-9-23(10-8-22)18(24)12-14-3-2-4-17(11-14)21-19(25)15-5-6-16(20)13-15/h2-4,11,15-16H,5-10,12-13,20H2,1H3,(H,21,25).
What are the key properties of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119899017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).