N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride

C20H29ClN4O2 — CID 120995494

IUPACN-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-22(19(25)15-6-7-15)18-5-3-2-4-17(18)20(26)24-11-8-16(14-24)23-12-9-21-10-13-23;/h2-5,15-16,21H,6-14H2,1H3;1H
InChIKeyRHORCSHNJWVXOH-UHFFFAOYSA-N
MW392.93 g/mol
LogP1.60
Rot. Bonds4

About N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride

N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 120995494) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID120995494
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-22(19(25)15-6-7-15)18-5-3-2-4-17(18)20(26)24-11-8-16(14-24)23-12-9-21-10-13-23;/h2-5,15-16,21H,6-14H2,1H3;1H
InChIKeyRHORCSHNJWVXOH-UHFFFAOYSA-N
XLogP1.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
(2-methylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996871
2,3-dihydro-1,4-benzodioxin-5-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997730
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646
N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120996516
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995818
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 136578590
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride (CID 120995494) is N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride is CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is RHORCSHNJWVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-22(19(25)15-6-7-15)18-5-3-2-4-17(18)20(26)24-11-8-16(14-24)23-12-9-21-10-13-23;/h2-5,15-16,21H,6-14H2,1H3;1H.
What are the key properties of N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride?
N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 120995494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).