1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide

C23H34N4O2 — CID 108980086

IUPAC1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-19-6-4-5-13-27(19)22(29)23(11-12-23)21(28)24-18-7-9-20(10-8-18)26-16-14-25(2)15-17-26/h7-10,19H,3-6,11-17H2,1-2H3,(H,24,28)
InChIKeyIOKUAQVEIWBLFL-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide

1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 108980086) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID108980086
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-19-6-4-5-13-27(19)22(29)23(11-12-23)21(28)24-18-7-9-20(10-8-18)26-16-14-25(2)15-17-26/h7-10,19H,3-6,11-17H2,1-2H3,(H,24,28)
InChIKeyIOKUAQVEIWBLFL-UHFFFAOYSA-N
XLogP2.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.95
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

N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108979122
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide (CID 108980086) is 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IOKUAQVEIWBLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-3-19-6-4-5-13-27(19)22(29)23(11-12-23)21(28)24-18-7-9-20(10-8-18)26-16-14-25(2)15-17-26/h7-10,19H,3-6,11-17H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide?
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108980086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).