4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C13H25N3O5 — CID 107845526

IUPAC4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC(CO)(CO)CO)CC1
InChIInChI=1S/C13H25N3O5/c1-15(2)12(21)16-5-3-10(4-6-16)11(20)14-13(7-17,8-18)9-19/h10,17-19H,3-9H2,1-2H3,(H,14,20)
InChIKeySWWOKFNCHQOLLV-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.79
Rot. Bonds5

About 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 107845526) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID107845526
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC(CO)(CO)CO)CC1
InChIInChI=1S/C13H25N3O5/c1-15(2)12(21)16-5-3-10(4-6-16)11(20)14-13(7-17,8-18)9-19/h10,17-19H,3-9H2,1-2H3,(H,14,20)
InChIKeySWWOKFNCHQOLLV-UHFFFAOYSA-N
XLogP-1.79
TPSA113.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
4-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 103895580
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639
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
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
4-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 114750902

Frequently Asked Questions

What is the IUPAC name of 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 107845526) is 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC(CO)(CO)CO)CC1.
What is the InChIKey of 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is SWWOKFNCHQOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-15(2)12(21)16-5-3-10(4-6-16)11(20)14-13(7-17,8-18)9-19/h10,17-19H,3-9H2,1-2H3,(H,14,20).
What are the key properties of 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 303.36 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 107845526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).