1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide

C16H28N2O3 — CID 110875716

IUPAC1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC2(C)CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)18-8-4-14(5-9-18)15(20)17(3)12-16(2)6-10-21-11-7-16/h14H,4-12H2,1-3H3
InChIKeyVRCHZEFDZYIDRE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds3

About 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 110875716) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID110875716
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC2(C)CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)18-8-4-14(5-9-18)15(20)17(3)12-16(2)6-10-21-11-7-16/h14H,4-12H2,1-3H3
InChIKeyVRCHZEFDZYIDRE-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide (CID 110875716) is 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)CC2(C)CCOCC2)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VRCHZEFDZYIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(19)18-8-4-14(5-9-18)15(20)17(3)12-16(2)6-10-21-11-7-16/h14H,4-12H2,1-3H3.
What are the key properties of 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110875716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).