(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

C19H21N2O5- — CID 6970208

IUPAC(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESO=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O5/c22-17(15-3-1-2-4-16(15)19(24)25)20-14-7-5-13(6-8-14)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H,24,25)/p-1/t15-,16-/m0/s1
InChIKeySXUUHWBULYVHLT-HOTGVXAUSA-M
MW357.39 g/mol
LogP0.43
Rot. Bonds4

About (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 6970208) has the molecular formula C19H21N2O5- and a molecular weight of 357.39 g/mol. Its IUPAC name is (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID6970208
Molecular FormulaC19H21N2O5-
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESO=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O5/c22-17(15-3-1-2-4-16(15)19(24)25)20-14-7-5-13(6-8-14)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H,24,25)/p-1/t15-,16-/m0/s1
InChIKeySXUUHWBULYVHLT-HOTGVXAUSA-M
XLogP0.43
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4139595
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
(1S,6S)-6-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080158
(1S,6S)-6-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 52506416
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
(1S,6R)-6-[(4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6951024
(1S,6R)-6-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7372087
(1R,6R)-6-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6958162
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate (CID 6970208) is (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate is O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is SXUUHWBULYVHLT-HOTGVXAUSA-M. The full InChI is InChI=1S/C19H22N2O5/c22-17(15-3-1-2-4-16(15)19(24)25)20-14-7-5-13(6-8-14)18(23)21-9-11-26-12-10-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,22)(H,24,25)/p-1/t15-,16-/m0/s1.
What are the key properties of (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 6970208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).