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

C19H30N4O2 — CID 119903580

IUPAC3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)C3CCC(N)C3)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-8-10-23(11-9-22)12-13-25-18-6-4-17(5-7-18)21-19(24)15-2-3-16(20)14-15/h4-7,15-16H,2-3,8-14,20H2,1H3,(H,21,24)
InChIKeyHGBBGZXTRCWJGX-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.38
Rot. Bonds6

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

3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 119903580) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID119903580
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCN(CCOc2ccc(NC(=O)C3CCC(N)C3)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-22-8-10-23(11-9-22)12-13-25-18-6-4-17(5-7-18)21-19(24)15-2-3-16(20)14-15/h4-7,15-16H,2-3,8-14,20H2,1H3,(H,21,24)
InChIKeyHGBBGZXTRCWJGX-UHFFFAOYSA-N
XLogP1.38
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 119903580) is 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is CN1CCN(CCOc2ccc(NC(=O)C3CCC(N)C3)cc2)CC1.
What is the InChIKey of 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is HGBBGZXTRCWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-8-10-23(11-9-22)12-13-25-18-6-4-17(5-7-18)21-19(24)15-2-3-16(20)14-15/h4-7,15-16H,2-3,8-14,20H2,1H3,(H,21,24).
What are the key properties of 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119903580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).