3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide

C19H28N4O3 — CID 119866742

IUPAC3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C19H28N4O3/c1-22-7-9-23(10-8-22)19(25)14-4-6-17(26-2)16(12-14)21-18(24)13-3-5-15(20)11-13/h4,6,12-13,15H,3,5,7-11,20H2,1-2H3,(H,21,24)
InChIKeyFXGRGRJVDARPGO-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119866742) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119866742
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C19H28N4O3/c1-22-7-9-23(10-8-22)19(25)14-4-6-17(26-2)16(12-14)21-18(24)13-3-5-15(20)11-13/h4,6,12-13,15H,3,5,7-11,20H2,1-2H3,(H,21,24)
InChIKeyFXGRGRJVDARPGO-UHFFFAOYSA-N
XLogP1.15
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
(2S,4S)-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-methyloxane-2-carboxamide
CID 126810048
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide (CID 119866742) is 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is FXGRGRJVDARPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-22-7-9-23(10-8-22)19(25)14-4-6-17(26-2)16(12-14)21-18(24)13-3-5-15(20)11-13/h4,6,12-13,15H,3,5,7-11,20H2,1-2H3,(H,21,24).
What are the key properties of 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119866742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).