N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide

C12H22N2O2 — CID 60753425

IUPACN-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-4-13-11(15)10-6-5-7-14(8-10)12(16)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyPGGNQDGEPVVIIP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds3

About N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 60753425) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID60753425
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-4-13-11(15)10-6-5-7-14(8-10)12(16)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyPGGNQDGEPVVIIP-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94093245
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
CID 49050190
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 60753425) is N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide is CCNC(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is PGGNQDGEPVVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-13-11(15)10-6-5-7-14(8-10)12(16)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60753425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).