[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate

C18H30N4O4 — CID 23589459

IUPAC[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C18H30N4O4/c1-14(2)12-15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(13-19)4-6-21(3)7-5-18/h14-15H,4-12H2,1-3H3,(H,20,23)
InChIKeyHQNYAGPVPYWLSF-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.97
Rot. Bonds5

About [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate

[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate (PubChem CID 23589459) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
PubChem CID23589459
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C18H30N4O4/c1-14(2)12-15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(13-19)4-6-21(3)7-5-18/h14-15H,4-12H2,1-3H3,(H,20,23)
InChIKeyHQNYAGPVPYWLSF-UHFFFAOYSA-N
XLogP0.97
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582104
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl] morpholine-4-carboxylate
CID 10162619
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-5-methyl-1-oxohexan-2-yl] morpholine-4-carboxylate
CID 58582116
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4-methyl-1-oxopent-4-en-2-yl] morpholine-4-carboxylate
CID 58582013
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-2-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582068
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582024
[(2S)-1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(2,3-dihydro-1H-inden-1-yl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582067
[(2S)-1-[[1-(benzylcarbamoyl)-4-cyanopiperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate
CID 58582002
N-(4-cyano-1-propylpiperidin-4-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91282381
4-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-4-cyanopiperidine-1-carboxylic acid
CID 22260296
2-methylpropyl N-[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10300862

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate (CID 23589459) is [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate is CC(C)CC(OC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
The InChIKey is HQNYAGPVPYWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-14(2)12-15(26-17(24)22-8-10-25-11-9-22)16(23)20-18(13-19)4-6-21(3)7-5-18/h14-15H,4-12H2,1-3H3,(H,20,23).
What are the key properties of [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate?
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 23589459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).