N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H22N2O2 — CID 107222001

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cccc2c1CCNC2
InChIInChI=1S/C16H22N2O2/c19-15-7-2-1-6-14(15)18-16(20)13-5-3-4-11-10-17-9-8-12(11)13/h3-5,14-15,17,19H,1-2,6-10H2,(H,18,20)/t14-,15-/m1/s1
InChIKeySJZJWSPJOSVKRA-HUUCEWRRSA-N
MW274.36 g/mol
LogP1.37
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 107222001) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID107222001
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cccc2c1CCNC2
InChIInChI=1S/C16H22N2O2/c19-15-7-2-1-6-14(15)18-16(20)13-5-3-4-11-10-17-9-8-12(11)13/h3-5,14-15,17,19H,1-2,6-10H2,(H,18,20)/t14-,15-/m1/s1
InChIKeySJZJWSPJOSVKRA-HUUCEWRRSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558804
N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 107221690
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
CID 104558521
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558719
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 107222001) is N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cccc2c1CCNC2.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is SJZJWSPJOSVKRA-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-7-2-1-6-14(15)18-16(20)13-5-3-4-11-10-17-9-8-12(11)13/h3-5,14-15,17,19H,1-2,6-10H2,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 107222001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).