(1-acetylpiperidin-4-yl)methylcarbamic acid

C9H16N2O3 — CID 156534334

IUPAC(1-acetylpiperidin-4-yl)methylcarbamic acid
SMILESCC(=O)N1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)6-10-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)
InChIKeyYXXSKTHZDIKDDV-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds2

About (1-acetylpiperidin-4-yl)methylcarbamic acid

(1-acetylpiperidin-4-yl)methylcarbamic acid (PubChem CID 156534334) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methylcarbamic acid
PubChem CID156534334
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(1-acetylpiperidin-4-yl)methylcarbamic acid
SMILESCC(=O)N1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)6-10-9(13)14/h8,10H,2-6H2,1H3,(H,13,14)
InChIKeyYXXSKTHZDIKDDV-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)methylcarbamic acid?
The IUPAC name of (1-acetylpiperidin-4-yl)methylcarbamic acid (CID 156534334) is (1-acetylpiperidin-4-yl)methylcarbamic acid.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methylcarbamic acid?
The canonical SMILES for (1-acetylpiperidin-4-yl)methylcarbamic acid is CC(=O)N1CCC(CNC(=O)O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methylcarbamic acid?
The InChIKey is YXXSKTHZDIKDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11-4-2-8(3-5-11)6-10-9(13)14/h8,10H,2-6H2,1H3,(H,13,14).
What are the key properties of (1-acetylpiperidin-4-yl)methylcarbamic acid?
(1-acetylpiperidin-4-yl)methylcarbamic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methylcarbamic acid is sourced from PubChem (CID 156534334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).