1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea

C19H28FN3O2 — CID 110933322

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCCC1O
InChIInChI=1S/C19H28FN3O2/c20-15-7-5-14(6-8-15)13-23-11-9-16(10-12-23)21-19(25)22-17-3-1-2-4-18(17)24/h5-8,16-18,24H,1-4,9-13H2,(H2,21,22,25)
InChIKeyHJEOJVBLRBCIIN-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.39
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933322) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
PubChem CID110933322
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCCC1O
InChIInChI=1S/C19H28FN3O2/c20-15-7-5-14(6-8-15)13-23-11-9-16(10-12-23)21-19(25)22-17-3-1-2-4-18(17)24/h5-8,16-18,24H,1-4,9-13H2,(H2,21,22,25)
InChIKeyHJEOJVBLRBCIIN-UHFFFAOYSA-N
XLogP2.39
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
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
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
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
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea (CID 110933322) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1CCCCC1O.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is HJEOJVBLRBCIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-15-7-5-14(6-8-15)13-23-11-9-16(10-12-23)21-19(25)22-17-3-1-2-4-18(17)24/h5-8,16-18,24H,1-4,9-13H2,(H2,21,22,25).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 349.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).