4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride

C19H29ClN4O3 — CID 122081559

IUPAC4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-26-16-6-4-15(5-7-16)18(24)21-9-10-22-11-13-23(14-12-22)19(25)17-3-2-8-20-17;/h4-7,17,20H,2-3,8-14H2,1H3,(H,21,24);1H/t17-;/m0./s1
InChIKeyXCGGUMMTGZNJAU-LMOVPXPDSA-N
MW396.92 g/mol
LogP0.74
Rot. Bonds6

About 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride

4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 122081559) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID122081559
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-26-16-6-4-15(5-7-16)18(24)21-9-10-22-11-13-23(14-12-22)19(25)17-3-2-8-20-17;/h4-7,17,20H,2-3,8-14H2,1H3,(H,21,24);1H/t17-;/m0./s1
InChIKeyXCGGUMMTGZNJAU-LMOVPXPDSA-N
XLogP0.74
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
(E)-1-(4-methoxyphenyl)-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]but-2-ene-1,4-dione;hydrochloride
CID 167764036
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 122081559) is 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride is COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is XCGGUMMTGZNJAU-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-26-16-6-4-15(5-7-16)18(24)21-9-10-22-11-13-23(14-12-22)19(25)17-3-2-8-20-17;/h4-7,17,20H,2-3,8-14H2,1H3,(H,21,24);1H/t17-;/m0./s1.
What are the key properties of 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride?
4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 122081559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).