4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C12H23N3O3 — CID 43501083

IUPAC4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC(CO)NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(8-16)13-11(17)10-4-6-15(7-5-10)12(18)14(2)3/h9-10,16H,4-8H2,1-3H3,(H,13,17)
InChIKeyZEULRJLQNVCVRK-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.12
Rot. Bonds3

About 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 43501083) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID43501083
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC(CO)NC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(8-16)13-11(17)10-4-6-15(7-5-10)12(18)14(2)3/h9-10,16H,4-8H2,1-3H3,(H,13,17)
InChIKeyZEULRJLQNVCVRK-UHFFFAOYSA-N
XLogP-0.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
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
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
1-(2,2-diphenylacetyl)-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 74824215
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
1-N,1-N-dimethyl-4-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1,4-dicarboxamide
CID 103716377
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 43501083) is 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CC(CO)NC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is ZEULRJLQNVCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(8-16)13-11(17)10-4-6-15(7-5-10)12(18)14(2)3/h9-10,16H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 43501083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).