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

2,8-Diazaspiro[4.5]decan-2-yl(oxan-4-yl)methanone
CID 97528497
2-(1-isopropyl-4-piperidyl)-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 71686936
1-Acetyl-N-methyl-N-[(4-methyloxan-4-YL)methyl]piperidine-4-carboxamide
CID 110875716
9-Oxa-2-azaspiro[5.5]undecan-1-one
CID 45791235
1-[4-(Methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 63979007
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
1-methyl-N-(oxan-4-yl)-2-oxopiperidine-4-carboxamide
CID 132284428
1-[4-(aminomethyl)oxane-4-carbonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120935484
1-[4-(aminomethyl)oxane-4-carbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120935512
4-(aminomethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-4-carboxamide
CID 120942708
2-[1-(3-fluoropropyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431596
1-methyl-N-(oxan-3-ylmethyl)-2-oxopiperidine-4-carboxamide
CID 53508094

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).