ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate

C19H32N6O4 — CID 142123243

IUPACethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate
SMILESCCCN1CCC(C#N)(NC(=O)C/N=C(\NC(=O)OCC)N2CCOCC2)CC1
InChIInChI=1S/C19H32N6O4/c1-3-7-24-8-5-19(15-20,6-9-24)23-16(26)14-21-17(22-18(27)29-4-2)25-10-12-28-13-11-25/h3-14H2,1-2H3,(H,23,26)(H,21,22,27)
InChIKeyRHKPQTONGMGYDR-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.31
Rot. Bonds6

About ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate

ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate (PubChem CID 142123243) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate
PubChem CID142123243
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Nameethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate
SMILESCCCN1CCC(C#N)(NC(=O)C/N=C(\NC(=O)OCC)N2CCOCC2)CC1
InChIInChI=1S/C19H32N6O4/c1-3-7-24-8-5-19(15-20,6-9-24)23-16(26)14-21-17(22-18(27)29-4-2)25-10-12-28-13-11-25/h3-14H2,1-2H3,(H,23,26)(H,21,22,27)
InChIKeyRHKPQTONGMGYDR-UHFFFAOYSA-N
XLogP0.31
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate with MolForge

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Related Compounds

ethyl N-[N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 9847848
methyl N-[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10115651
methyl N-[N-[(2S)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10115776
ethyl N-[N-[(2S)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-5-methyl-1-oxohexan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10116597
2-methylpropyl N-[N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10118069
2-methoxyethyl N-[N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10118275
2,2-dimethylpropyl N-[N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10118760
methyl N-[N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10160211
propyl N-[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10163470
ethyl N-[N-[(2S)-1-[[3-cyano-1-(2-methylpropyl)piperidin-3-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10163593
ethyl N-[N-[1-[[3-cyano-1-(2-methylpropyl)piperidin-3-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10163594
ethyl N-[N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-5,5-dimethyl-1-oxohexan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10163595

Frequently Asked Questions

What is the IUPAC name of ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The IUPAC name of ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate (CID 142123243) is ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate.
What is the SMILES notation for ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The canonical SMILES for ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate is CCCN1CCC(C#N)(NC(=O)C/N=C(\NC(=O)OCC)N2CCOCC2)CC1.
What is the InChIKey of ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The InChIKey is RHKPQTONGMGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-3-7-24-8-5-19(15-20,6-9-24)23-16(26)14-21-17(22-18(27)29-4-2)25-10-12-28-13-11-25/h3-14H2,1-2H3,(H,23,26)(H,21,22,27).
What are the key properties of ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate has a molecular weight of 408.50 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[N-[2-[(4-cyano-1-propylpiperidin-4-yl)amino]-2-oxoethyl]-C-morpholin-4-ylcarbonimidoyl]carbamate is sourced from PubChem (CID 142123243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).