4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide

C16H32N4O — CID 71784791

IUPAC4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H32N4O/c1-13(2)17-16(21)19-7-5-15(6-8-19)12-20-10-9-18(4)11-14(20)3/h13-15H,5-12H2,1-4H3,(H,17,21)
InChIKeyUWKAPPSLLUOJAH-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.45
Rot. Bonds3

About 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71784791) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID71784791
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H32N4O/c1-13(2)17-16(21)19-7-5-15(6-8-19)12-20-10-9-18(4)11-14(20)3/h13-15H,5-12H2,1-4H3,(H,17,21)
InChIKeyUWKAPPSLLUOJAH-UHFFFAOYSA-N
XLogP1.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 71784791) is 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(CN2CCN(C)CC2C)CC1.
What is the InChIKey of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UWKAPPSLLUOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)17-16(21)19-7-5-15(6-8-19)12-20-10-9-18(4)11-14(20)3/h13-15H,5-12H2,1-4H3,(H,17,21).
What are the key properties of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).