[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone

C29H33Cl2N3O — CID 59265721

IUPAC[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCC1(C)CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CCC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H33Cl2N3O/c1-29(2)19-34(13-9-23(29)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)28(35)22-6-8-27-21(18-22)4-3-12-32-27/h3-8,12,17-18,23-24H,9-11,13-16,19H2,1-2H3
InChIKeyPXFIJUKPJJXNRE-UHFFFAOYSA-N
MW510.51 g/mol
LogP6.74
Rot. Bonds4

About [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone

[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 59265721) has the molecular formula C29H33Cl2N3O and a molecular weight of 510.51 g/mol. Its IUPAC name is [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID59265721
Molecular FormulaC29H33Cl2N3O
Molecular Weight510.51 g/mol
Exact Mass509.20
IUPAC Name[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCC1(C)CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CCC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H33Cl2N3O/c1-29(2)19-34(13-9-23(29)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)28(35)22-6-8-27-21(18-22)4-3-12-32-27/h3-8,12,17-18,23-24H,9-11,13-16,19H2,1-2H3
InChIKeyPXFIJUKPJJXNRE-UHFFFAOYSA-N
XLogP6.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone with MolForge

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Related Compounds

[4-[(3S,4R)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 129118147
[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 59265890
(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone
CID 59265745
3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one
CID 158342672
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 59265721) is [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone is CC1(C)CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CCC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is PXFIJUKPJJXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2N3O/c1-29(2)19-34(13-9-23(29)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)28(35)22-6-8-27-21(18-22)4-3-12-32-27/h3-8,12,17-18,23-24H,9-11,13-16,19H2,1-2H3.
What are the key properties of [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 510.51 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 59265721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).