1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

C17H26N4O — CID 119903379

IUPAC1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CC1
InChIInChI=1S/C17H26N4O/c1-19(16(22)17(18)7-8-17)9-10-20-11-13-21(14-12-20)15-5-3-2-4-6-15/h2-6H,7-14,18H2,1H3
InChIKeyFQAAISPGSIVSMW-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.76
Rot. Bonds5

About 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 119903379) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID119903379
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CC1
InChIInChI=1S/C17H26N4O/c1-19(16(22)17(18)7-8-17)9-10-20-11-13-21(14-12-20)15-5-3-2-4-6-15/h2-6H,7-14,18H2,1H3
InChIKeyFQAAISPGSIVSMW-UHFFFAOYSA-N
XLogP0.76
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119903422
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983095
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (CID 119903379) is 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is CN(CCN1CCN(c2ccccc2)CC1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is FQAAISPGSIVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19(16(22)17(18)7-8-17)9-10-20-11-13-21(14-12-20)15-5-3-2-4-6-15/h2-6H,7-14,18H2,1H3.
What are the key properties of 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119903379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).