1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide

C20H27FN2O3 — CID 24791484

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H27FN2O3/c21-17-7-3-2-6-15(17)12-23-13-16(8-9-18(23)24)19(25)22-14-20(26)10-4-1-5-11-20/h2-3,6-7,16,26H,1,4-5,8-14H2,(H,22,25)
InChIKeyXYPWBVBFZJBJLA-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.38
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791484) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791484
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H27FN2O3/c21-17-7-3-2-6-15(17)12-23-13-16(8-9-18(23)24)19(25)22-14-20(26)10-4-1-5-11-20/h2-3,6-7,16,26H,1,4-5,8-14H2,(H,22,25)
InChIKeyXYPWBVBFZJBJLA-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791484) is 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XYPWBVBFZJBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-17-7-3-2-6-15(17)12-23-13-16(8-9-18(23)24)19(25)22-14-20(26)10-4-1-5-11-20/h2-3,6-7,16,26H,1,4-5,8-14H2,(H,22,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).