1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride

C22H29ClN4O3 — CID 120734964

IUPAC1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1.Cl
InChIInChI=1S/C22H28N4O3.ClH/c1-15(2)24-22(28)25-17-8-6-7-16(13-17)21(27)26-12-11-23-14-19(26)18-9-4-5-10-20(18)29-3;/h4-10,13,15,19,23H,11-12,14H2,1-3H3,(H2,24,25,28);1H
InChIKeyJRYIJALRSBCSDT-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.43
Rot. Bonds5

About 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride

1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride (PubChem CID 120734964) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
PubChem CID120734964
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1.Cl
InChIInChI=1S/C22H28N4O3.ClH/c1-15(2)24-22(28)25-17-8-6-7-16(13-17)21(27)26-12-11-23-14-19(26)18-9-4-5-10-20(18)29-3;/h4-10,13,15,19,23H,11-12,14H2,1-3H3,(H2,24,25,28);1H
InChIKeyJRYIJALRSBCSDT-UHFFFAOYSA-N
XLogP3.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120733628
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120733724

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride?
The IUPAC name of 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride (CID 120734964) is 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride?
The canonical SMILES for 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1.Cl.
What is the InChIKey of 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride?
The InChIKey is JRYIJALRSBCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.ClH/c1-15(2)24-22(28)25-17-8-6-7-16(13-17)21(27)26-12-11-23-14-19(26)18-9-4-5-10-20(18)29-3;/h4-10,13,15,19,23H,11-12,14H2,1-3H3,(H2,24,25,28);1H.
What are the key properties of 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride?
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride has a molecular weight of 432.95 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 120734964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).