4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C15H27N3O3 — CID 114750902

IUPAC4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC2(CCO)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-17(2)14(21)18-8-3-12(4-9-18)13(20)16-11-15(5-6-15)7-10-19/h12,19H,3-11H2,1-2H3,(H,16,20)
InChIKeyBIEHBCGPOOONBO-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.66
Rot. Bonds5

About 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 114750902) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID114750902
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC2(CCO)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-17(2)14(21)18-8-3-12(4-9-18)13(20)16-11-15(5-6-15)7-10-19/h12,19H,3-11H2,1-2H3,(H,16,20)
InChIKeyBIEHBCGPOOONBO-UHFFFAOYSA-N
XLogP0.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

3-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 114751024
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
1-N,1-N-dimethyl-4-N-[2-(methylamino)propyl]piperidine-1,4-dicarboxamide
CID 120828598
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 114750902) is 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCC2(CCO)CC2)CC1.
What is the InChIKey of 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is BIEHBCGPOOONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17(2)14(21)18-8-3-12(4-9-18)13(20)16-11-15(5-6-15)7-10-19/h12,19H,3-11H2,1-2H3,(H,16,20).
What are the key properties of 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 114750902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).