N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H22N2O3 — CID 106298865

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O3/c19-11-16(5-7-21-8-6-16)18-15(20)14-9-12-3-1-2-4-13(12)10-17-14/h1-4,14,17,19H,5-11H2,(H,18,20)
InChIKeyPLSFLMQMWRUTIR-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.36
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106298865) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106298865
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O3/c19-11-16(5-7-21-8-6-16)18-15(20)14-9-12-3-1-2-4-13(12)10-17-14/h1-4,14,17,19H,5-11H2,(H,18,20)
InChIKeyPLSFLMQMWRUTIR-UHFFFAOYSA-N
XLogP0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106299027
(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106101517
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81433506
(3R)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115454960
(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896809
1-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450667
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119277750
N-[(1-propan-2-ylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119333912
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119345531
N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893203

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106298865) is N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NC1(CO)CCOCC1)C1Cc2ccccc2CN1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is PLSFLMQMWRUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-11-16(5-7-21-8-6-16)18-15(20)14-9-12-3-1-2-4-13(12)10-17-14/h1-4,14,17,19H,5-11H2,(H,18,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).