2-(1-acetylpiperidin-4-yl)ethylcarbamic acid

C10H18N2O3 — CID 118540720

IUPAC2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
SMILESCC(=O)N1CCC(CCNC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-8(13)12-6-3-9(4-7-12)2-5-11-10(14)15/h9,11H,2-7H2,1H3,(H,14,15)
InChIKeyVQCKXNLHPKPMDH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid

2-(1-acetylpiperidin-4-yl)ethylcarbamic acid (PubChem CID 118540720) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
PubChem CID118540720
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
SMILESCC(=O)N1CCC(CCNC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-8(13)12-6-3-9(4-7-12)2-5-11-10(14)15/h9,11H,2-7H2,1H3,(H,14,15)
InChIKeyVQCKXNLHPKPMDH-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(3-methylpentan-3-yl)urea
CID 71916849
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
2-[4-(hydroxymethyl)cyclohexyl]ethylcarbamic acid
CID 22236327
2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
CID 122458449
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-(5-phenoxypyrimidin-2-yl)urea
CID 167782728
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid (CID 118540720) is 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid is CC(=O)N1CCC(CCNC(=O)O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid?
The InChIKey is VQCKXNLHPKPMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)12-6-3-9(4-7-12)2-5-11-10(14)15/h9,11H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid?
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)ethylcarbamic acid is sourced from PubChem (CID 118540720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).