3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide

C15H28N4O2 — CID 63130917

IUPAC3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C15H28N4O2/c1-15(6-3-7-17-11-15)14(21)18-12-4-8-19(9-5-12)10-13(20)16-2/h12,17H,3-11H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyMRRWYWSWTDTXKZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.30
Rot. Bonds4

About 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 63130917) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID63130917
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C15H28N4O2/c1-15(6-3-7-17-11-15)14(21)18-12-4-8-19(9-5-12)10-13(20)16-2/h12,17H,3-11H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyMRRWYWSWTDTXKZ-UHFFFAOYSA-N
XLogP-0.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide (CID 63130917) is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide is CNC(=O)CN1CCC(NC(=O)C2(C)CCCNC2)CC1.
What is the InChIKey of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is MRRWYWSWTDTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(6-3-7-17-11-15)14(21)18-12-4-8-19(9-5-12)10-13(20)16-2/h12,17H,3-11H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 63130917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).