1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea

C23H25N5O — CID 113028774

IUPAC1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H25N5O/c29-23(25-20-9-5-2-6-10-20)26-22-12-11-21(17-24-22)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H2,24,25,26,29)
InChIKeyXNESYAKEBCQCIZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.05
Rot. Bonds5

About 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea

1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea (PubChem CID 113028774) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
PubChem CID113028774
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H25N5O/c29-23(25-20-9-5-2-6-10-20)26-22-12-11-21(17-24-22)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H2,24,25,26,29)
InChIKeyXNESYAKEBCQCIZ-UHFFFAOYSA-N
XLogP4.05
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
CID 113029595
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699535
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea (CID 113028774) is 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea?
The InChIKey is XNESYAKEBCQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(25-20-9-5-2-6-10-20)26-22-12-11-21(17-24-22)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H2,24,25,26,29).
What are the key properties of 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea?
1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea has a molecular weight of 387.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113028774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).