1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea

C20H25ClN4O — CID 55793803

IUPAC1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C20H25ClN4O/c1-24(15-16-5-7-18(21)8-6-16)20(26)23-14-17-9-10-22-19(13-17)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,26)
InChIKeyUSVYXOWCSLPUDJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.07
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea

1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 55793803) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID55793803
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C20H25ClN4O/c1-24(15-16-5-7-18(21)8-6-16)20(26)23-14-17-9-10-22-19(13-17)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,26)
InChIKeyUSVYXOWCSLPUDJ-UHFFFAOYSA-N
XLogP4.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea (CID 55793803) is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea is CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is USVYXOWCSLPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24(15-16-5-7-18(21)8-6-16)20(26)23-14-17-9-10-22-19(13-17)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 372.90 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 55793803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).