[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea

C19H22N4O3 — CID 31912991

IUPAC[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-26-17-4-2-3-16(13-17)22-9-11-23(12-10-22)18(24)14-5-7-15(8-6-14)21-19(20)25/h2-8,13H,9-12H2,1H3,(H3,20,21,25)
InChIKeyNTTDNVPIHVPITM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.15
Rot. Bonds4

About [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea

[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea (PubChem CID 31912991) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
PubChem CID31912991
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-26-17-4-2-3-16(13-17)22-9-11-23(12-10-22)18(24)14-5-7-15(8-6-14)21-19(20)25/h2-8,13H,9-12H2,1H3,(H3,20,21,25)
InChIKeyNTTDNVPIHVPITM-UHFFFAOYSA-N
XLogP2.15
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
(4-amino-3-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574291
1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9273655
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 4178598
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea (CID 31912991) is [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea is COc1cccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea?
The InChIKey is NTTDNVPIHVPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-17-4-2-3-16(13-17)22-9-11-23(12-10-22)18(24)14-5-7-15(8-6-14)21-19(20)25/h2-8,13H,9-12H2,1H3,(H3,20,21,25).
What are the key properties of [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea?
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea has a molecular weight of 354.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 31912991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).