2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

C19H29ClN4O2 — CID 120997281

IUPAC2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(2)18(24)21-16-5-3-15(4-6-16)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyNTFMBHKHWBDTCF-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.82
Rot. Bonds4

About 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 120997281) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID120997281
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-14(2)18(24)21-16-5-3-15(4-6-16)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyNTFMBHKHWBDTCF-UHFFFAOYSA-N
XLogP1.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
N-butan-2-yl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120994656
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
2,2-dimethyl-N-[[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]methyl]propanamide;hydrochloride
CID 120997636
N-tert-butyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120997534
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 120997281) is 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is CC(C)C(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl.
What is the InChIKey of 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is NTFMBHKHWBDTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-14(2)18(24)21-16-5-3-15(4-6-16)19(25)23-10-7-17(13-23)22-11-8-20-9-12-22;/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,24);1H.
What are the key properties of 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120997281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).