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

C22H34FN3O — CID 22393436

IUPAC1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C22H34FN3O/c23-20-9-7-18(8-10-20)17-19-11-15-26(16-12-19)14-4-13-24-22(27)25-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H2,24,25,27)
InChIKeyKMMVEHIYOWBLGW-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.10
Rot. Bonds7

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

1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (PubChem CID 22393436) has the molecular formula C22H34FN3O and a molecular weight of 375.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
PubChem CID22393436
Molecular FormulaC22H34FN3O
Molecular Weight375.53 g/mol
Exact Mass375.27
IUPAC Name1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C22H34FN3O/c23-20-9-7-18(8-10-20)17-19-11-15-26(16-12-19)14-4-13-24-22(27)25-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H2,24,25,27)
InChIKeyKMMVEHIYOWBLGW-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
CID 31899116
CID 31899116
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (CID 22393436) is 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The InChIKey is KMMVEHIYOWBLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O/c23-20-9-7-18(8-10-20)17-19-11-15-26(16-12-19)14-4-13-24-22(27)25-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H2,24,25,27).
What are the key properties of 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea has a molecular weight of 375.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).