1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea

C20H28FN3O2 — CID 170579179

IUPAC1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC(c2ccccc2F)C2CCCC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(25)24-12-10-16(11-13-24)22-20(26)23-19(15-6-2-3-7-15)17-8-4-5-9-18(17)21/h4-5,8-9,15-16,19H,2-3,6-7,10-13H2,1H3,(H2,22,23,26)
InChIKeyXZNPIDRQAQZOAC-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.37
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea

1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea (PubChem CID 170579179) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
PubChem CID170579179
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC(c2ccccc2F)C2CCCC2)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(25)24-12-10-16(11-13-24)22-20(26)23-19(15-6-2-3-7-15)17-8-4-5-9-18(17)21/h4-5,8-9,15-16,19H,2-3,6-7,10-13H2,1H3,(H2,22,23,26)
InChIKeyXZNPIDRQAQZOAC-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 97055835
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
1-[[cyclopentyl-(2-fluorophenyl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005991
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 96537537
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71972649
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-3-methyl-1-(2-methylphenyl)butyl]urea
CID 97072666
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea (CID 170579179) is 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea is CC(=O)N1CCC(NC(=O)NC(c2ccccc2F)C2CCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea?
The InChIKey is XZNPIDRQAQZOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14(25)24-12-10-16(11-13-24)22-20(26)23-19(15-6-2-3-7-15)17-8-4-5-9-18(17)21/h4-5,8-9,15-16,19H,2-3,6-7,10-13H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea has a molecular weight of 361.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 170579179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).