1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea

C24H26N4O2 — CID 1056881

IUPAC1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-25-24(30)26-21-9-11-22(12-10-21)27-13-15-28(16-14-27)23(29)20-8-7-18-5-3-4-6-19(18)17-20/h3-12,17H,2,13-16H2,1H3,(H2,25,26,30)
InChIKeyGWHFQHVCYQAJLS-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.94
Rot. Bonds4

About 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea

1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea (PubChem CID 1056881) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
PubChem CID1056881
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-25-24(30)26-21-9-11-22(12-10-21)27-13-15-28(16-14-27)23(29)20-8-7-18-5-3-4-6-19(18)17-20/h3-12,17H,2,13-16H2,1H3,(H2,25,26,30)
InChIKeyGWHFQHVCYQAJLS-UHFFFAOYSA-N
XLogP3.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 3295410
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
ethyl 4-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]benzoate
CID 42767164
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
CID 1056346
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea (CID 1056881) is 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea is CCNC(=O)Nc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea?
The InChIKey is GWHFQHVCYQAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-25-24(30)26-21-9-11-22(12-10-21)27-13-15-28(16-14-27)23(29)20-8-7-18-5-3-4-6-19(18)17-20/h3-12,17H,2,13-16H2,1H3,(H2,25,26,30).
What are the key properties of 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea?
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea has a molecular weight of 402.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea is sourced from PubChem (CID 1056881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).