[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid

C20H22FN3O3 — CID 68709667

IUPAC[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22FN3O3/c21-17-8-4-7-16(18(17)23-20(26)27)19(25)22-15-9-11-24(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,23H,9-13H2,(H,22,25)(H,26,27)
InChIKeyPAQJCFLLJKTVBR-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.31
Rot. Bonds5

About [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid

[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid (PubChem CID 68709667) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
PubChem CID68709667
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22FN3O3/c21-17-8-4-7-16(18(17)23-20(26)27)19(25)22-15-9-11-24(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,23H,9-13H2,(H,22,25)(H,26,27)
InChIKeyPAQJCFLLJKTVBR-UHFFFAOYSA-N
XLogP3.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid?
The IUPAC name of [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid (CID 68709667) is [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid.
What is the SMILES notation for [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid?
The canonical SMILES for [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid is O=C(O)Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid?
The InChIKey is PAQJCFLLJKTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-8-4-7-16(18(17)23-20(26)27)19(25)22-15-9-11-24(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,23H,9-13H2,(H,22,25)(H,26,27).
What are the key properties of [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid?
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid has a molecular weight of 371.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid is sourced from PubChem (CID 68709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).