1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea

C24H27N5O — CID 66561333

IUPAC1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H27N5O/c30-24(27-22-10-13-25-14-11-22)26-21-8-6-20(7-9-21)12-15-28-16-18-29(19-17-28)23-4-2-1-3-5-23/h1-11,13-14H,12,15-19H2,(H2,25,26,27,30)
InChIKeyDJMRKPUZZUDMFC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.09
Rot. Bonds6

About 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea

1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea (PubChem CID 66561333) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
PubChem CID66561333
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H27N5O/c30-24(27-22-10-13-25-14-11-22)26-21-8-6-20(7-9-21)12-15-28-16-18-29(19-17-28)23-4-2-1-3-5-23/h1-11,13-14H,12,15-19H2,(H2,25,26,27,30)
InChIKeyDJMRKPUZZUDMFC-UHFFFAOYSA-N
XLogP4.09
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid
CID 15383406
2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 66561413
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridine-3-sulfonamide;hydrochloride
CID 121256309
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
methyl 4-[4-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]butanoate
CID 14209810
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea (CID 66561333) is 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The InChIKey is DJMRKPUZZUDMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(27-22-10-13-25-14-11-22)26-21-8-6-20(7-9-21)12-15-28-16-18-29(19-17-28)23-4-2-1-3-5-23/h1-11,13-14H,12,15-19H2,(H2,25,26,27,30).
What are the key properties of 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea has a molecular weight of 401.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 66561333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).