3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea

C16H22ClF2N3O — CID 56825884

IUPAC3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea
SMILESCN(CC(F)F)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClF2N3O/c1-21(11-15(18)19)16(23)20-14-6-8-22(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,14-15H,6-11H2,1H3,(H,20,23)
InChIKeyIJZDWIDNKMPUCF-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.21
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea (PubChem CID 56825884) has the molecular formula C16H22ClF2N3O and a molecular weight of 345.82 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea
PubChem CID56825884
Molecular FormulaC16H22ClF2N3O
Molecular Weight345.82 g/mol
Exact Mass345.14
IUPAC Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea
SMILESCN(CC(F)F)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClF2N3O/c1-21(11-15(18)19)16(23)20-14-6-8-22(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,14-15H,6-11H2,1H3,(H,20,23)
InChIKeyIJZDWIDNKMPUCF-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 49137205
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate
CID 119050461
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea (CID 56825884) is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea is CN(CC(F)F)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea?
The InChIKey is IJZDWIDNKMPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N3O/c1-21(11-15(18)19)16(23)20-14-6-8-22(9-7-14)10-12-2-4-13(17)5-3-12/h2-5,14-15H,6-11H2,1H3,(H,20,23).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea?
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea has a molecular weight of 345.82 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea is sourced from PubChem (CID 56825884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).