2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

C16H28N2O3 — CID 91914833

IUPAC2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NCC2(C)CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)18-7-3-14(4-8-18)11-15(20)17-12-16(2)5-9-21-10-6-16/h14H,3-12H2,1-2H3,(H,17,20)
InChIKeySYHUIWRXPVDDGH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds4

About 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 91914833) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID91914833
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NCC2(C)CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(19)18-7-3-14(4-8-18)11-15(20)17-12-16(2)5-9-21-10-6-16/h14H,3-12H2,1-2H3,(H,17,20)
InChIKeySYHUIWRXPVDDGH-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
2-(4-aminocyclohexyl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 55260453
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
N-[(1-methylcyclohexyl)methyl]-2-piperidin-4-ylacetamide
CID 113267305
N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859951
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 91914833) is 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is CC(=O)N1CCC(CC(=O)NCC2(C)CCOCC2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is SYHUIWRXPVDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(19)18-7-3-14(4-8-18)11-15(20)17-12-16(2)5-9-21-10-6-16/h14H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 91914833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).