1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea

C20H30FN3O — CID 87034548

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H30FN3O/c1-15-2-8-18(9-3-15)22-20(25)23-19-10-12-24(13-11-19)14-16-4-6-17(21)7-5-16/h4-7,15,18-19H,2-3,8-14H2,1H3,(H2,22,23,25)
InChIKeySSIZGDNSLTXSQQ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea (PubChem CID 87034548) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
PubChem CID87034548
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H30FN3O/c1-15-2-8-18(9-3-15)22-20(25)23-19-10-12-24(13-11-19)14-16-4-6-17(21)7-5-16/h4-7,15,18-19H,2-3,8-14H2,1H3,(H2,22,23,25)
InChIKeySSIZGDNSLTXSQQ-UHFFFAOYSA-N
XLogP3.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881
1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
CID 132972779
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea (CID 87034548) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea?
The InChIKey is SSIZGDNSLTXSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-15-2-8-18(9-3-15)22-20(25)23-19-10-12-24(13-11-19)14-16-4-6-17(21)7-5-16/h4-7,15,18-19H,2-3,8-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea has a molecular weight of 347.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 87034548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).