[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H25ClN2O — CID 2903763

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25ClN2O/c23-21-7-5-17(6-8-21)15-24-12-9-19(10-13-24)22(26)25-14-11-18-3-1-2-4-20(18)16-25/h1-8,19H,9-16H2
InChIKeyZWOQLDSIEYREFA-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.14
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2903763) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2903763
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H25ClN2O/c23-21-7-5-17(6-8-21)15-24-12-9-19(10-13-24)22(26)25-14-11-18-3-1-2-4-20(18)16-25/h1-8,19H,9-16H2
InChIKeyZWOQLDSIEYREFA-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

2-[(4-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095903
2-[(1-Phenylmethyl-4-piperidyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 14405661
1-[4-[4-[(4-Chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389695
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
[1-(4-Chlorobenzyl)piperidin-4-yl][4-(diphenylmethyl)piperazin-1-yl]methanone
CID 2903812
2-{[1-(4-Chlorobenzoyl)-3-piperidinyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3818651
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 9976459
2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,2-dihydroisoquinolin-3(4H)-one
CID 10066364
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-acetamide
CID 11314302
N-benzyl-1-(4-chlorobenzyl)piperidine-4-carboxamide
CID 25249192
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(octahydro-quinolin-1-yl)-ethanone
CID 44336003
N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 46890960

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2903763) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is ZWOQLDSIEYREFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-21-7-5-17(6-8-21)15-24-12-9-19(10-13-24)22(26)25-14-11-18-3-1-2-4-20(18)16-25/h1-8,19H,9-16H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 368.91 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2903763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).