N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H22N2O2 — CID 107221690

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-14(15)18-16(20)12-6-5-11-7-8-17-10-13(11)9-12/h5-6,9,14-15,17,19H,1-4,7-8,10H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyZDEZGEMTLRVRHX-GJZGRUSLSA-N
MW274.36 g/mol
LogP1.37
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 107221690) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID107221690
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-14(15)18-16(20)12-6-5-11-7-8-17-10-13(11)9-12/h5-6,9,14-15,17,19H,1-4,7-8,10H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyZDEZGEMTLRVRHX-GJZGRUSLSA-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-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489103
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107221941
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 107221690) is N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is ZDEZGEMTLRVRHX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-4-2-1-3-14(15)18-16(20)12-6-5-11-7-8-17-10-13(11)9-12/h5-6,9,14-15,17,19H,1-4,7-8,10H2,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-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-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 107221690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).