1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide

C13H24N2O4 — CID 54993733

IUPAC1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O4/c1-10(16)15-6-4-5-11(7-15)13(18)14(2)8-12(17)9-19-3/h11-12,17H,4-9H2,1-3H3
InChIKeySCFJRLNQEVVWAX-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.29
Rot. Bonds5

About 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide

1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide (PubChem CID 54993733) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
PubChem CID54993733
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O4/c1-10(16)15-6-4-5-11(7-15)13(18)14(2)8-12(17)9-19-3/h11-12,17H,4-9H2,1-3H3
InChIKeySCFJRLNQEVVWAX-UHFFFAOYSA-N
XLogP-0.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119228849
1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 54993619
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-(2-chloro-3-methoxypropyl)-N-methylcyclooctanecarboxamide
CID 65020722
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-2-carboxamide
CID 62213191
N-(2-chloro-3-methoxypropyl)-N-methylcyclopentanecarboxamide
CID 63397916
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
CID 80671637

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide (CID 54993733) is 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide is COCC(O)CN(C)C(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is SCFJRLNQEVVWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(16)15-6-4-5-11(7-15)13(18)14(2)8-12(17)9-19-3/h11-12,17H,4-9H2,1-3H3.
What are the key properties of 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide?
1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54993733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).