N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide

C16H29N3O2 — CID 131897706

IUPACN-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCNC(=O)CN1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-17-15(20)12-19-9-7-13(8-10-19)11-18-16(21)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyLJIINUCRQJTPAR-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds5

About N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide

N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 131897706) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
PubChem CID131897706
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCNC(=O)CN1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-17-15(20)12-19-9-7-13(8-10-19)11-18-16(21)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyLJIINUCRQJTPAR-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131901425
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-(azetidin-1-ylmethyl)cycloheptanecarboxamide
CID 134274254

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide (CID 131897706) is N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide is CNC(=O)CN1CCC(CNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is LJIINUCRQJTPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-17-15(20)12-19-9-7-13(8-10-19)11-18-16(21)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 131897706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).