[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone

C28H35Cl2N3O — CID 59265890

IUPAC[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(N3CCC(Cc4ccc(Cl)c(Cl)c4)C4(CCCC4)C3)CC2)ccn1
InChIInChI=1S/C28H35Cl2N3O/c1-20-16-22(6-12-31-20)27(34)32-14-8-24(9-15-32)33-13-7-23(28(19-33)10-2-3-11-28)17-21-4-5-25(29)26(30)18-21/h4-6,12,16,18,23-24H,2-3,7-11,13-15,17,19H2,1H3
InChIKeyNVWMFNDRSCJOSQ-UHFFFAOYSA-N
MW500.51 g/mol
LogP6.43
Rot. Bonds4

About [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone

[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 59265890) has the molecular formula C28H35Cl2N3O and a molecular weight of 500.51 g/mol. Its IUPAC name is [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID59265890
Molecular FormulaC28H35Cl2N3O
Molecular Weight500.51 g/mol
Exact Mass499.22
IUPAC Name[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(N3CCC(Cc4ccc(Cl)c(Cl)c4)C4(CCCC4)C3)CC2)ccn1
InChIInChI=1S/C28H35Cl2N3O/c1-20-16-22(6-12-31-20)27(34)32-14-8-24(9-15-32)33-13-7-23(28(19-33)10-2-3-11-28)17-21-4-5-25(29)26(30)18-21/h4-6,12,16,18,23-24H,2-3,7-11,13-15,17,19H2,1H3
InChIKeyNVWMFNDRSCJOSQ-UHFFFAOYSA-N
XLogP6.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone
CID 59265745
[4-[4-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 59265721
[4-[(3S,4R)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 129118147
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753419
[4-[(3S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(6-fluoroquinolin-4-yl)methanone
CID 59265862
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
[4-(2-bromoethyl)piperazin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106754168
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260

Frequently Asked Questions

What is the IUPAC name of [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone (CID 59265890) is [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CCC(N3CCC(Cc4ccc(Cl)c(Cl)c4)C4(CCCC4)C3)CC2)ccn1.
What is the InChIKey of [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is NVWMFNDRSCJOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N3O/c1-20-16-22(6-12-31-20)27(34)32-14-8-24(9-15-32)33-13-7-23(28(19-33)10-2-3-11-28)17-21-4-5-25(29)26(30)18-21/h4-6,12,16,18,23-24H,2-3,7-11,13-15,17,19H2,1H3.
What are the key properties of [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 500.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 59265890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).