3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

C19H28ClN3O3 — CID 119754727

IUPAC3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-5-2-15(3-6-17)4-7-18(23)21-10-12-22(13-11-21)19(24)16-8-9-20-14-16;/h2-3,5-6,16,20H,4,7-14H2,1H3;1H
InChIKeyJISDXAWWUKOZKL-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.33
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride

3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119754727) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119754727
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-5-2-15(3-6-17)4-7-18(23)21-10-12-22(13-11-21)19(24)16-8-9-20-14-16;/h2-3,5-6,16,20H,4,7-14H2,1H3;1H
InChIKeyJISDXAWWUKOZKL-UHFFFAOYSA-N
XLogP1.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
1-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119762598
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
1-[4-[(1R)-cyclohex-3-ene-1-carbonyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 52511912
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 48873833
5-[1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201685

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119754727) is 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is COc1ccc(CCC(=O)N2CCN(C(=O)C3CCNC3)CC2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is JISDXAWWUKOZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-17-5-2-15(3-6-17)4-7-18(23)21-10-12-22(13-11-21)19(24)16-8-9-20-14-16;/h2-3,5-6,16,20H,4,7-14H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride?
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119754727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).