(4-ethylpiperidin-4-yl)carbamic acid

C8H16N2O2 — CID 141381339

IUPAC(4-ethylpiperidin-4-yl)carbamic acid
SMILESCCC1(NC(=O)O)CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-8(10-7(11)12)3-5-9-6-4-8/h9-10H,2-6H2,1H3,(H,11,12)
InChIKeyGRLGXQFUSLDUEH-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.79
Rot. Bonds2

About (4-ethylpiperidin-4-yl)carbamic acid

(4-ethylpiperidin-4-yl)carbamic acid (PubChem CID 141381339) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)carbamic acid
PubChem CID141381339
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4-ethylpiperidin-4-yl)carbamic acid
SMILESCCC1(NC(=O)O)CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-8(10-7(11)12)3-5-9-6-4-8/h9-10H,2-6H2,1H3,(H,11,12)
InChIKeyGRLGXQFUSLDUEH-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide
CID 162725478
N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 75513772
(4-propylpiperidin-4-yl)methylcarbamic acid
CID 118239545
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)carbamic acid?
The IUPAC name of (4-ethylpiperidin-4-yl)carbamic acid (CID 141381339) is (4-ethylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (4-ethylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (4-ethylpiperidin-4-yl)carbamic acid is CCC1(NC(=O)O)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)carbamic acid?
The InChIKey is GRLGXQFUSLDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-8(10-7(11)12)3-5-9-6-4-8/h9-10H,2-6H2,1H3,(H,11,12).
What are the key properties of (4-ethylpiperidin-4-yl)carbamic acid?
(4-ethylpiperidin-4-yl)carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 141381339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).