1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide

C15H26N2O4 — CID 114951241

IUPAC1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)CC2(O)CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-12(18)17-7-3-4-13(10-17)14(19)16(2)11-15(20)5-8-21-9-6-15/h13,20H,3-11H2,1-2H3
InChIKeyCNHHTPHYNHQVSV-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.24
Rot. Bonds3

About 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide

1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 114951241) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID114951241
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)CC2(O)CCOCC2)C1
InChIInChI=1S/C15H26N2O4/c1-12(18)17-7-3-4-13(10-17)14(19)16(2)11-15(20)5-8-21-9-6-15/h13,20H,3-11H2,1-2H3
InChIKeyCNHHTPHYNHQVSV-UHFFFAOYSA-N
XLogP0.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide 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

1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 114950906
1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104985552
1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
CID 54993733
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
1-acetyl-3-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-N-methylpiperidine-3-carboxamide
CID 128989014
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 114951821
1-acetylpiperidine-3-carboxylic acid
CID 14043896

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide (CID 114951241) is 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(C)CC2(O)CCOCC2)C1.
What is the InChIKey of 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is CNHHTPHYNHQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(18)17-7-3-4-13(10-17)14(19)16(2)11-15(20)5-8-21-9-6-15/h13,20H,3-11H2,1-2H3.
What are the key properties of 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide?
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 114951241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).