4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide

C15H19N3O3 — CID 83097534

IUPAC4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O3/c16-14(19)13-9-21-6-5-18(13)15(20)12-7-10-3-1-2-4-11(10)8-17-12/h1-4,12-13,17H,5-9H2,(H2,16,19)
InChIKeyPGTMKYUJGVHYGK-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.59
Rot. Bonds2

About 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide

4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide (PubChem CID 83097534) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
PubChem CID83097534
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O3/c16-14(19)13-9-21-6-5-18(13)15(20)12-7-10-3-1-2-4-11(10)8-17-12/h1-4,12-13,17H,5-9H2,(H2,16,19)
InChIKeyPGTMKYUJGVHYGK-UHFFFAOYSA-N
XLogP-0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide
CID 83101383
(3-methylmorpholin-4-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61154202
[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 106774300
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 104896094
1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 61147948
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 113375553
(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896809
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
methyl (2R)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylate;hydrochloride
CID 67873772
(2S)-N-(oxolan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 44666751

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide (CID 83097534) is 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)C1Cc2ccccc2CN1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide?
The InChIKey is PGTMKYUJGVHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14(19)13-9-21-6-5-18(13)15(20)12-7-10-3-1-2-4-11(10)8-17-12/h1-4,12-13,17H,5-9H2,(H2,16,19).
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide?
4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83097534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).