N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C15H21N3O — CID 110489063

IUPACN-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H21N3O/c19-15(18-14-4-7-16-8-5-14)12-1-2-13-10-17-6-3-11(13)9-12/h1-2,9,14,16-17H,3-8,10H2,(H,18,19)
InChIKeyMSMFUZGCSHPRPJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.81
Rot. Bonds2

About N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 110489063) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID110489063
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H21N3O/c19-15(18-14-4-7-16-8-5-14)12-1-2-13-10-17-6-3-11(13)9-12/h1-2,9,14,16-17H,3-8,10H2,(H,18,19)
InChIKeyMSMFUZGCSHPRPJ-UHFFFAOYSA-N
XLogP0.81
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489103
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 105060018
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 119046205
N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 107221690
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
N-cyclopentyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382512
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 110489063) is N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(NC1CCNCC1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is MSMFUZGCSHPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(18-14-4-7-16-8-5-14)12-1-2-13-10-17-6-3-11(13)9-12/h1-2,9,14,16-17H,3-8,10H2,(H,18,19).
What are the key properties of N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 110489063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).