1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea

C19H22ClN5O — CID 113014392

IUPAC1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)NC1CC1
InChIInChI=1S/C19H22ClN5O/c20-14-2-1-3-17(12-14)24-8-10-25(11-9-24)18-7-6-16(13-21-18)23-19(26)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H2,22,23,26)
InChIKeyBOLRFSFHHVRDKQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.35
Rot. Bonds4

About 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea

1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea (PubChem CID 113014392) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
PubChem CID113014392
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)NC1CC1
InChIInChI=1S/C19H22ClN5O/c20-14-2-1-3-17(12-14)24-8-10-25(11-9-24)18-7-6-16(13-21-18)23-19(26)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H2,22,23,26)
InChIKeyBOLRFSFHHVRDKQ-UHFFFAOYSA-N
XLogP3.35
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea (CID 113014392) is 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea is O=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1)NC1CC1.
What is the InChIKey of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea?
The InChIKey is BOLRFSFHHVRDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-14-2-1-3-17(12-14)24-8-10-25(11-9-24)18-7-6-16(13-21-18)23-19(26)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H2,22,23,26).
What are the key properties of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea?
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea has a molecular weight of 371.87 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 113014392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).