1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea

C20H31FN4O — CID 46884511

IUPAC1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
SMILESCCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCNCC2)CC1
InChIInChI=1S/C20H31FN4O/c1-2-24-13-9-19(10-14-24)25(18-7-11-22-12-8-18)20(26)23-15-16-3-5-17(21)6-4-16/h3-6,18-19,22H,2,7-15H2,1H3,(H,23,26)
InChIKeyYDBDNXXYPHECLD-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.57
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea

1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea (PubChem CID 46884511) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
PubChem CID46884511
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
SMILESCCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCNCC2)CC1
InChIInChI=1S/C20H31FN4O/c1-2-24-13-9-19(10-14-24)25(18-7-11-22-12-8-18)20(26)23-15-16-3-5-17(21)6-4-16/h3-6,18-19,22H,2,7-15H2,1H3,(H,23,26)
InChIKeyYDBDNXXYPHECLD-UHFFFAOYSA-N
XLogP2.57
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea (CID 46884511) is 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea is CCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCNCC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The InChIKey is YDBDNXXYPHECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-2-24-13-9-19(10-14-24)25(18-7-11-22-12-8-18)20(26)23-15-16-3-5-17(21)6-4-16/h3-6,18-19,22H,2,7-15H2,1H3,(H,23,26).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea has a molecular weight of 362.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea is sourced from PubChem (CID 46884511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).