1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide

C20H30N4O2 — CID 108979122

IUPAC1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H30N4O2/c1-4-23(5-2)19(26)20(10-11-20)18(25)21-16-6-8-17(9-7-16)24-14-12-22(3)13-15-24/h6-9H,4-5,10-15H2,1-3H3,(H,21,25)
InChIKeyWJMHGMLQHUVIAQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.03
Rot. Bonds6

About 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide

1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108979122) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID108979122
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H30N4O2/c1-4-23(5-2)19(26)20(10-11-20)18(25)21-16-6-8-17(9-7-16)24-14-12-22(3)13-15-24/h6-9H,4-5,10-15H2,1-3H3,(H,21,25)
InChIKeyWJMHGMLQHUVIAQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide (CID 108979122) is 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is WJMHGMLQHUVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-23(5-2)19(26)20(10-11-20)18(25)21-16-6-8-17(9-7-16)24-14-12-22(3)13-15-24/h6-9H,4-5,10-15H2,1-3H3,(H,21,25).
What are the key properties of 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).