N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide

C17H32N2O2 — CID 164535755

IUPACN-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide
SMILESCCNC(=O)CCCCC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-4-18-17(21)8-6-5-7-15-9-11-19(12-10-15)13-16(20)14(2)3/h14-15H,4-13H2,1-3H3,(H,18,21)
InChIKeyWCFRCSOWFLMFCJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds9

About N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide

N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide (PubChem CID 164535755) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide
PubChem CID164535755
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide
SMILESCCNC(=O)CCCCC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-4-18-17(21)8-6-5-7-15-9-11-19(12-10-15)13-16(20)14(2)3/h14-15H,4-13H2,1-3H3,(H,18,21)
InChIKeyWCFRCSOWFLMFCJ-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644
N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide
CID 167520484
1-[4-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-methylbutan-2-one
CID 176576642
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62217877
5-(1-ethylpiperidin-4-yl)pentanoic acid
CID 165463146
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
N,N'-diethylnonanediamide
CID 89048639
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide?
The IUPAC name of N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide (CID 164535755) is N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide?
The canonical SMILES for N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide is CCNC(=O)CCCCC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide?
The InChIKey is WCFRCSOWFLMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-18-17(21)8-6-5-7-15-9-11-19(12-10-15)13-16(20)14(2)3/h14-15H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide?
N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide has a molecular weight of 296.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 164535755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).