4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide

C16H29N3O2 — CID 127236629

IUPAC4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)18-10-6-14(7-11-18)17-16(21)19-8-4-13(3)5-9-19/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyCBNHNGGWSOTJPY-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.07
Rot. Bonds2

About 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide

4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 127236629) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID127236629
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)18-10-6-14(7-11-18)17-16(21)19-8-4-13(3)5-9-19/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyCBNHNGGWSOTJPY-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
CID 79160685
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990
N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
CID 107172623
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide (CID 127236629) is 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide is CC1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is CBNHNGGWSOTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)15(20)18-10-6-14(7-11-18)17-16(21)19-8-4-13(3)5-9-19/h12-14H,4-11H2,1-3H3,(H,17,21).
What are the key properties of 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide?
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 127236629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).