1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide

C19H26N2O3 — CID 111539458

IUPAC1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC2(O)CCC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-18(17(23)20-13-19(24)10-5-11-19)9-6-12-21(14-18)16(22)15-7-3-2-4-8-15/h2-4,7-8,24H,5-6,9-14H2,1H3,(H,20,23)
InChIKeyASXFRBFWDDFTHT-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.96
Rot. Bonds4

About 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide

1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 111539458) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID111539458
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC2(O)CCC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-18(17(23)20-13-19(24)10-5-11-19)9-6-12-21(14-18)16(22)15-7-3-2-4-8-15/h2-4,7-8,24H,5-6,9-14H2,1H3,(H,20,23)
InChIKeyASXFRBFWDDFTHT-UHFFFAOYSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide (CID 111539458) is 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCC2(O)CCC2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is ASXFRBFWDDFTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(17(23)20-13-19(24)10-5-11-19)9-6-12-21(14-18)16(22)15-7-3-2-4-8-15/h2-4,7-8,24H,5-6,9-14H2,1H3,(H,20,23).
What are the key properties of 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide?
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 111539458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).