1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide

C14H26N4O3 — CID 83269183

IUPAC1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(NCC2CCCO2)(C(N)=O)CC1
InChIInChI=1S/C14H26N4O3/c1-17(2)13(20)18-7-5-14(6-8-18,12(15)19)16-10-11-4-3-9-21-11/h11,16H,3-10H2,1-2H3,(H2,15,19)
InChIKeyCBMNAHWVCNRNOE-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.24
Rot. Bonds4

About 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide (PubChem CID 83269183) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
PubChem CID83269183
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(NCC2CCCO2)(C(N)=O)CC1
InChIInChI=1S/C14H26N4O3/c1-17(2)13(20)18-7-5-14(6-8-18,12(15)19)16-10-11-4-3-9-21-11/h11,16H,3-10H2,1-2H3,(H2,15,19)
InChIKeyCBMNAHWVCNRNOE-UHFFFAOYSA-N
XLogP-0.24
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
CID 55141024
ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
methyl 1-(oxolan-2-ylmethylamino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 62708451
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 61005628
N,N-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
CID 134076312
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
methyl 4-methyl-1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 65085366

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide (CID 83269183) is 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(NCC2CCCO2)(C(N)=O)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide?
The InChIKey is CBMNAHWVCNRNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-17(2)13(20)18-7-5-14(6-8-18,12(15)19)16-10-11-4-3-9-21-11/h11,16H,3-10H2,1-2H3,(H2,15,19).
What are the key properties of 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 83269183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).