(4-cyano-1-ethylpiperidin-4-yl)carbamic acid

C9H15N3O2 — CID 90106138

IUPAC(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
SMILESCCN1CCC(C#N)(NC(=O)O)CC1
InChIInChI=1S/C9H15N3O2/c1-2-12-5-3-9(7-10,4-6-12)11-8(13)14/h11H,2-6H2,1H3,(H,13,14)
InChIKeyHRPHYMQAXADMKO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.63
Rot. Bonds2

About (4-cyano-1-ethylpiperidin-4-yl)carbamic acid

(4-cyano-1-ethylpiperidin-4-yl)carbamic acid (PubChem CID 90106138) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (4-cyano-1-ethylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
PubChem CID90106138
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
SMILESCCN1CCC(C#N)(NC(=O)O)CC1
InChIInChI=1S/C9H15N3O2/c1-2-12-5-3-9(7-10,4-6-12)11-8(13)14/h11H,2-6H2,1H3,(H,13,14)
InChIKeyHRPHYMQAXADMKO-UHFFFAOYSA-N
XLogP0.63
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-ethyl-4-(3-hydroxypropylamino)azepane-4-carbonitrile
CID 65076348
1-ethyl-4-(prop-2-ynylamino)azepane-4-carbonitrile
CID 65076196
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(1-cyanocyclopentyl)propanamide
CID 55029198
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458

Frequently Asked Questions

What is the IUPAC name of (4-cyano-1-ethylpiperidin-4-yl)carbamic acid?
The IUPAC name of (4-cyano-1-ethylpiperidin-4-yl)carbamic acid (CID 90106138) is (4-cyano-1-ethylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (4-cyano-1-ethylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (4-cyano-1-ethylpiperidin-4-yl)carbamic acid is CCN1CCC(C#N)(NC(=O)O)CC1.
What is the InChIKey of (4-cyano-1-ethylpiperidin-4-yl)carbamic acid?
The InChIKey is HRPHYMQAXADMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-12-5-3-9(7-10,4-6-12)11-8(13)14/h11H,2-6H2,1H3,(H,13,14).
What are the key properties of (4-cyano-1-ethylpiperidin-4-yl)carbamic acid?
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid has a molecular weight of 197.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-1-ethylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 90106138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).