N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride

C17H25ClN4O2 — CID 120997852

IUPACN-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13(22)19-15-4-2-14(3-5-15)17(23)21-9-6-16(12-21)20-10-7-18-8-11-20;/h2-5,16,18H,6-12H2,1H3,(H,19,22);1H
InChIKeyPGSJONYRCDHRHO-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.19
Rot. Bonds3

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

N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 120997852) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID120997852
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13(22)19-15-4-2-14(3-5-15)17(23)21-9-6-16(12-21)20-10-7-18-8-11-20;/h2-5,16,18H,6-12H2,1H3,(H,19,22);1H
InChIKeyPGSJONYRCDHRHO-UHFFFAOYSA-N
XLogP1.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120997281
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
2,2-dimethyl-N-[[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]methyl]propanamide;hydrochloride
CID 120997636
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-tert-butyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120997534
[4-(2-methoxyethylsulfonyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996500
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride (CID 120997852) is N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1.Cl.
What is the InChIKey of N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is PGSJONYRCDHRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-13(22)19-15-4-2-14(3-5-15)17(23)21-9-6-16(12-21)20-10-7-18-8-11-20;/h2-5,16,18H,6-12H2,1H3,(H,19,22);1H.
What are the key properties of N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride?
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120997852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).