4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C15H27N3O3 — CID 104927639

IUPAC4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C15H27N3O3/c1-17(2)15(21)18-9-7-11(8-10-18)14(20)16-12-5-3-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyOHUZNABGPYIFPF-CHWSQXEVSA-N
MW297.40 g/mol
LogP0.80
Rot. Bonds2

About 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 104927639) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID104927639
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C15H27N3O3/c1-17(2)15(21)18-9-7-11(8-10-18)14(20)16-12-5-3-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyOHUZNABGPYIFPF-CHWSQXEVSA-N
XLogP0.80
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1-dimethylurea
CID 40636941
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
CID 104927999
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
CID 114226447
4-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 103895580

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 104927639) is 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is OHUZNABGPYIFPF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17(2)15(21)18-9-7-11(8-10-18)14(20)16-12-5-3-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3,(H,16,20)/t12-,13-/m1/s1.
What are the key properties of 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 104927639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).