N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C16H22N2O2 — CID 65106578

IUPACN-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1NCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-15(18-11-16(20)8-3-4-9-16)14-13-6-2-1-5-12(13)7-10-17-14/h1-2,5-6,14,17,20H,3-4,7-11H2,(H,18,19)
InChIKeyIRYHRGJKJYBBPE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 65106578) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID65106578
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1NCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-15(18-11-16(20)8-3-4-9-16)14-13-6-2-1-5-12(13)7-10-17-14/h1-2,5-6,14,17,20H,3-4,7-11H2,(H,18,19)
InChIKeyIRYHRGJKJYBBPE-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 59658239
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111470169
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
N-[(4-ethylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 86813984
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
ethyl 4-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)butanoate
CID 64575997
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106213401
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114942362
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106255116

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 65106578) is N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NCC1(O)CCCC1)C1NCCc2ccccc21.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is IRYHRGJKJYBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(18-11-16(20)8-3-4-9-16)14-13-6-2-1-5-12(13)7-10-17-14/h1-2,5-6,14,17,20H,3-4,7-11H2,(H,18,19).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 65106578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).