4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide

C18H27N3O2 — CID 138030270

IUPAC4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCC2Cc3ccccc3CN2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(13-22)6-8-21(9-7-18)17(23)20-12-16-10-14-4-2-3-5-15(14)11-19-16/h2-5,16,19,22H,6-13H2,1H3,(H,20,23)
InChIKeyFJIRYKJIWUJMNB-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.50
Rot. Bonds3

About 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide

4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 138030270) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID138030270
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESCC1(CO)CCN(C(=O)NCC2Cc3ccccc3CN2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(13-22)6-8-21(9-7-18)17(23)20-12-16-10-14-4-2-3-5-15(14)11-19-16/h2-5,16,19,22H,6-13H2,1H3,(H,20,23)
InChIKeyFJIRYKJIWUJMNB-UHFFFAOYSA-N
XLogP1.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
(3S)-3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 169157679
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
CID 86792113
5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 138030092
3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine
CID 114547544
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81433506
(3R)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115454960
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 167778484
1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213978

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide (CID 138030270) is 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide is CC1(CO)CCN(C(=O)NCC2Cc3ccccc3CN2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is FJIRYKJIWUJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(13-22)6-8-21(9-7-18)17(23)20-12-16-10-14-4-2-3-5-15(14)11-19-16/h2-5,16,19,22H,6-13H2,1H3,(H,20,23).
What are the key properties of 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138030270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).