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

C22H32N4O3 — CID 46103923

IUPAC4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H32N4O3/c1-25(2)22(29)26-14-12-17(13-15-26)21(28)24-19-11-7-6-10-18(19)23-20(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,28)/t18-,19?/m1/s1
InChIKeyQKROATTVGKNDNV-MRTLOADZSA-N
MW400.52 g/mol
LogP2.24
Rot. Bonds4

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

4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 46103923) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID46103923
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H32N4O3/c1-25(2)22(29)26-14-12-17(13-15-26)21(28)24-19-11-7-6-10-18(19)23-20(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,28)/t18-,19?/m1/s1
InChIKeyQKROATTVGKNDNV-MRTLOADZSA-N
XLogP2.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 46103923) is 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC2CCCC[C@H]2NC(=O)c2ccccc2)CC1.
What is the InChIKey of 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is QKROATTVGKNDNV-MRTLOADZSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-25(2)22(29)26-14-12-17(13-15-26)21(28)24-19-11-7-6-10-18(19)23-20(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,28)/t18-,19?/m1/s1.
What are the key properties of 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 46103923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).