N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide

C17H31N3O3 — CID 99792568

IUPACN',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NC[C@H](C)N1CCCCC1=O
InChIInChI=1S/C17H31N3O3/c1-4-19(5-2)16(22)11-8-9-15(21)18-13-14(3)20-12-7-6-10-17(20)23/h14H,4-13H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGSPQKSMFMKMFHY-AWEZNQCLSA-N
MW325.45 g/mol
LogP1.54
Rot. Bonds9

About N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide

N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide (PubChem CID 99792568) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide
PubChem CID99792568
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NC[C@H](C)N1CCCCC1=O
InChIInChI=1S/C17H31N3O3/c1-4-19(5-2)16(22)11-8-9-15(21)18-13-14(3)20-12-7-6-10-17(20)23/h14H,4-13H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGSPQKSMFMKMFHY-AWEZNQCLSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
5-chloro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 99840939
N-(3-aminobutyl)-N',N'-diethylpentanediamide
CID 119495804
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
CID 177084896
5-nitro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]thiophene-3-carboxamide
CID 99802239
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
CID 134507504
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99792785
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide?
The IUPAC name of N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide (CID 99792568) is N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide?
The canonical SMILES for N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide is CCN(CC)C(=O)CCCC(=O)NC[C@H](C)N1CCCCC1=O.
What is the InChIKey of N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide?
The InChIKey is GSPQKSMFMKMFHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-4-19(5-2)16(22)11-8-9-15(21)18-13-14(3)20-12-7-6-10-17(20)23/h14H,4-13H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide?
N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide has a molecular weight of 325.45 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]pentanediamide is sourced from PubChem (CID 99792568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).