1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea

C22H24ClF2N3O3 — CID 134347535

IUPAC1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
SMILESCOc1ccc(C2CCN(C(=O)C(C)(F)F)CC2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClF2N3O3/c1-22(24,25)20(29)28-12-11-18(14-3-9-17(31-2)10-4-14)19(13-28)27-21(30)26-16-7-5-15(23)6-8-16/h3-10,18-19H,11-13H2,1-2H3,(H2,26,27,30)
InChIKeyGLHIOLNDUMCTLM-UHFFFAOYSA-N
MW451.90 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea

1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea (PubChem CID 134347535) has the molecular formula C22H24ClF2N3O3 and a molecular weight of 451.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
PubChem CID134347535
Molecular FormulaC22H24ClF2N3O3
Molecular Weight451.90 g/mol
Exact Mass451.15
IUPAC Name1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
SMILESCOc1ccc(C2CCN(C(=O)C(C)(F)F)CC2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClF2N3O3/c1-22(24,25)20(29)28-12-11-18(14-3-9-17(31-2)10-4-14)19(13-28)27-21(30)26-16-7-5-15(23)6-8-16/h3-10,18-19H,11-13H2,1-2H3,(H2,26,27,30)
InChIKeyGLHIOLNDUMCTLM-UHFFFAOYSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.90
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-[(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-4-(4-methoxyphenyl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 157133673
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea
CID 134347520
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
tert-butyl 4-[(4-bromophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139466484
1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139475514
1-(4-chlorophenyl)-3-[1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139468150
2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 138525291

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea (CID 134347535) is 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea is COc1ccc(C2CCN(C(=O)C(C)(F)F)CC2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea?
The InChIKey is GLHIOLNDUMCTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2N3O3/c1-22(24,25)20(29)28-12-11-18(14-3-9-17(31-2)10-4-14)19(13-28)27-21(30)26-16-7-5-15(23)6-8-16/h3-10,18-19H,11-13H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea?
1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea has a molecular weight of 451.90 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea is sourced from PubChem (CID 134347535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).