ethane;(3R)-N-methylpiperidine-3-carboxamide

C9H20N2O — CID 145422305

IUPACethane;(3R)-N-methylpiperidine-3-carboxamide
SMILESCC.CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C7H14N2O.C2H6/c1-8-7(10)6-3-2-4-9-5-6;1-2/h6,9H,2-5H2,1H3,(H,8,10);1-2H3/t6-;/m1./s1
InChIKeyBIASBWZGCVEWFG-FYZOBXCZSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds1

About ethane;(3R)-N-methylpiperidine-3-carboxamide

ethane;(3R)-N-methylpiperidine-3-carboxamide (PubChem CID 145422305) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;(3R)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Nameethane;(3R)-N-methylpiperidine-3-carboxamide
PubChem CID145422305
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;(3R)-N-methylpiperidine-3-carboxamide
SMILESCC.CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C7H14N2O.C2H6/c1-8-7(10)6-3-2-4-9-5-6;1-2/h6,9H,2-5H2,1H3,(H,8,10);1-2H3/t6-;/m1./s1
InChIKeyBIASBWZGCVEWFG-FYZOBXCZSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;piperidine-3-carbohydrazide
CID 143869941
N-methyl-1-piperidin-3-ylpiperidine-4-carboxamide
CID 61442428
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-[3-(methylamino)cyclopentyl]piperidine-3-carboxamide
CID 178010430
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
di(piperidin-3-yl)methanone
CID 69183047
N-(2-methylprop-2-enoyl)piperidine-3-carboxamide
CID 176884456
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-N-methylpiperidine-3-carboxamide?
The IUPAC name of ethane;(3R)-N-methylpiperidine-3-carboxamide (CID 145422305) is ethane;(3R)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for ethane;(3R)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for ethane;(3R)-N-methylpiperidine-3-carboxamide is CC.CNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of ethane;(3R)-N-methylpiperidine-3-carboxamide?
The InChIKey is BIASBWZGCVEWFG-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-8-7(10)6-3-2-4-9-5-6;1-2/h6,9H,2-5H2,1H3,(H,8,10);1-2H3/t6-;/m1./s1.
What are the key properties of ethane;(3R)-N-methylpiperidine-3-carboxamide?
ethane;(3R)-N-methylpiperidine-3-carboxamide has a molecular weight of 172.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 145422305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).