2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride

C19H26ClN5O2 — CID 120879889

IUPAC2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3;/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25);1H
InChIKeyBRXXYUHAYZWVSR-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride

2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride (PubChem CID 120879889) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
PubChem CID120879889
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3;/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25);1H
InChIKeyBRXXYUHAYZWVSR-UHFFFAOYSA-N
XLogP2.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 120877842
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride (CID 120879889) is 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride is CC(C)C(=O)Nc1ccc(C(=O)N2CCNCC2c2nccn2C)cc1.Cl.
What is the InChIKey of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
The InChIKey is BRXXYUHAYZWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-13(2)18(25)22-15-6-4-14(5-7-15)19(26)24-11-8-20-12-16(24)17-21-9-10-23(17)3;/h4-7,9-10,13,16,20H,8,11-12H2,1-3H3,(H,22,25);1H.
What are the key properties of 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride?
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120879889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).