(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C22H26FN3O — CID 124756572

IUPAC(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H26FN3O/c1-25-15-17-7-3-2-6-16(17)14-21(25)22(27)24-18-10-12-26(13-11-18)20-9-5-4-8-19(20)23/h2-9,18,21H,10-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyTWZJBUZPTOUHEO-OAQYLSRUSA-N
MW367.47 g/mol
LogP2.97
Rot. Bonds3

About (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 124756572) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID124756572
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H26FN3O/c1-25-15-17-7-3-2-6-16(17)14-21(25)22(27)24-18-10-12-26(13-11-18)20-9-5-4-8-19(20)23/h2-9,18,21H,10-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyTWZJBUZPTOUHEO-OAQYLSRUSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97117554
N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564098
(2S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441594
2-ethyl-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 50973049
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97205018
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
2-methyl-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 58142666
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125169555
N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 124756572) is (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is TWZJBUZPTOUHEO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-25-15-17-7-3-2-6-16(17)14-21(25)22(27)24-18-10-12-26(13-11-18)20-9-5-4-8-19(20)23/h2-9,18,21H,10-15H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 124756572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).