4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide

C20H37N3O3 — CID 78887959

IUPAC4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C20H37N3O3/c1-14(2)6-7-15(3)21-20(25)22-10-8-18(9-11-22)19(24)23-12-16(4)26-17(5)13-23/h14-18H,6-13H2,1-5H3,(H,21,25)
InChIKeyBHLDFJNNPPNBHO-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.87
Rot. Bonds5

About 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide

4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide (PubChem CID 78887959) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide
PubChem CID78887959
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C20H37N3O3/c1-14(2)6-7-15(3)21-20(25)22-10-8-18(9-11-22)19(24)23-12-16(4)26-17(5)13-23/h14-18H,6-13H2,1-5H3,(H,21,25)
InChIKeyBHLDFJNNPPNBHO-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 38289278
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832685
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 94064055
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide (CID 78887959) is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide is CC(C)CCC(C)NC(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide?
The InChIKey is BHLDFJNNPPNBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-14(2)6-7-15(3)21-20(25)22-10-8-18(9-11-22)19(24)23-12-16(4)26-17(5)13-23/h14-18H,6-13H2,1-5H3,(H,21,25).
What are the key properties of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide?
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide has a molecular weight of 367.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 78887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).