5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

C19H27ClN4O2 — CID 120767435

IUPAC5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(C(=O)N(C)C)[nH]1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-22(2)19(24)16-9-8-14(21-16)13-23-11-10-20-12-17(23)15-6-4-5-7-18(15)25-3;/h4-9,17,20-21H,10-13H2,1-3H3;1H
InChIKeyFTRFUSRVEOQJAC-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.29
Rot. Bonds5

About 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120767435) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120767435
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(C(=O)N(C)C)[nH]1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-22(2)19(24)16-9-8-14(21-16)13-23-11-10-20-12-17(23)15-6-4-5-7-18(15)25-3;/h4-9,17,20-21H,10-13H2,1-3H3;1H
InChIKeyFTRFUSRVEOQJAC-UHFFFAOYSA-N
XLogP2.29
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 120767435) is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is COc1ccccc1C1CNCCN1Cc1ccc(C(=O)N(C)C)[nH]1.Cl.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is FTRFUSRVEOQJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-22(2)19(24)16-9-8-14(21-16)13-23-11-10-20-12-17(23)15-6-4-5-7-18(15)25-3;/h4-9,17,20-21H,10-13H2,1-3H3;1H.
What are the key properties of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120767435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).