1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide

C14H24N2O4 — CID 104630361

IUPAC1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2(CO)CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11(18)16-6-2-12(3-7-16)13(19)15-14(10-17)4-8-20-9-5-14/h12,17H,2-10H2,1H3,(H,15,19)
InChIKeyKVLYNXNIBIPPTK-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.10
Rot. Bonds3

About 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide

1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide (PubChem CID 104630361) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
PubChem CID104630361
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2(CO)CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-11(18)16-6-2-12(3-7-16)13(19)15-14(10-17)4-8-20-9-5-14/h12,17H,2-10H2,1H3,(H,15,19)
InChIKeyKVLYNXNIBIPPTK-UHFFFAOYSA-N
XLogP-0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
N-[4-(bromomethyl)oxan-4-yl]-4-methylcyclohexane-1-carboxamide
CID 114171042
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide (CID 104630361) is 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2(CO)CCOCC2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide?
The InChIKey is KVLYNXNIBIPPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(18)16-6-2-12(3-7-16)13(19)15-14(10-17)4-8-20-9-5-14/h12,17H,2-10H2,1H3,(H,15,19).
What are the key properties of 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 104630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).