N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide

C16H30N2O2 — CID 113005259

IUPACN,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)18-11-9-14(10-12-18)16(20)17(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyQLYXPKOOYVWMRV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds6

About N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide

N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide (PubChem CID 113005259) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
PubChem CID113005259
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)18-11-9-14(10-12-18)16(20)17(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyQLYXPKOOYVWMRV-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1-Ethylpiperidine-4-carboxamide
CID 567825
1,4-Diacetylpiperidine
CID 2777250
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
3-Piperidinecarboxamide, N,N-diethyl-1-hexyl-, monohydrobromide
CID 120537
Piperazine, 1,4-diisovaleryl-
CID 205898
1-Acetylpiperidine-4-carboxamide
CID 18474173
1-Butanoylpiperidine-4-carboxamide
CID 17312169
1,1-Dimethylpiperidin-1-ium-4-carboxamide
CID 44335251
1-Pentyl-4-piperidinecarboxamide
CID 4184048
1-Piperidino-2-ethyl-1-butanone
CID 5052838

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide (CID 113005259) is N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(C(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The InChIKey is QLYXPKOOYVWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)18-11-9-14(10-12-18)16(20)17(7-3)8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).