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

C16H22N2O2 — CID 107221971

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O2/c19-15-8-4-3-7-13(15)18-16(20)14-9-11-5-1-2-6-12(11)10-17-14/h1-2,5-6,13-15,17,19H,3-4,7-10H2,(H,18,20)/t13-,14?,15-/m1/s1
InChIKeyAVBUNMRFFZUKOH-GIJJTGMTSA-N
MW274.36 g/mol
LogP1.12
Rot. Bonds2

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

N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 107221971) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID107221971
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O2/c19-15-8-4-3-7-13(15)18-16(20)14-9-11-5-1-2-6-12(11)10-17-14/h1-2,5-6,13-15,17,19H,3-4,7-10H2,(H,18,20)/t13-,14?,15-/m1/s1
InChIKeyAVBUNMRFFZUKOH-GIJJTGMTSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107221687
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
(3R)-N-(2-cyanocyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62963639
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64907413
(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82729225
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
(3R)-N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154887354
(3S)-N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896608
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75064302
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 107221971) is N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)C1Cc2ccccc2CN1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is AVBUNMRFFZUKOH-GIJJTGMTSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-8-4-3-7-13(15)18-16(20)14-9-11-5-1-2-6-12(11)10-17-14/h1-2,5-6,13-15,17,19H,3-4,7-10H2,(H,18,20)/t13-,14?,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.12, 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-3-carboxamide is sourced from PubChem (CID 107221971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).