propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate

C28H41N3O3 — CID 135216480

IUPACpropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate
SMILESCc1ncc(-c2ccc(OCCC(C)C)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)OC(C)C
InChIInChI=1S/C28H41N3O3/c1-19(2)10-15-33-22-8-9-25(30-17-22)24-18-29-21(5)23(16-26(32)34-20(3)4)27(24)31-13-11-28(6,7)12-14-31/h8-9,17-20H,10-16H2,1-7H3
InChIKeySPCIZFCXHSSQPT-UHFFFAOYSA-N
MW467.65 g/mol
LogP6.00
Rot. Bonds9

About propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate

propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate (PubChem CID 135216480) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate
PubChem CID135216480
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC Namepropan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate
SMILESCc1ncc(-c2ccc(OCCC(C)C)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)OC(C)C
InChIInChI=1S/C28H41N3O3/c1-19(2)10-15-33-22-8-9-25(30-17-22)24-18-29-21(5)23(16-26(32)34-20(3)4)27(24)31-13-11-28(6,7)12-14-31/h8-9,17-20H,10-16H2,1-7H3
InChIKeySPCIZFCXHSSQPT-UHFFFAOYSA-N
XLogP6.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate 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

propan-2-yl 2-[5-[5-[2-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetate
CID 135216719
2-methylpropan-2-ol;propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-oxobutoxy)-2-pyridinyl]-3-pyridinyl]acetate
CID 153377841
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(trifluoromethylsulfonyloxy)-2-pyridinyl]-3-pyridinyl]acetate
CID 153377886
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylpropoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 135216240
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 146281947
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-fluoro-4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-3-pyridinyl]acetate
CID 135216432
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 146281938
2-[5-[5-[2-(2,6-difluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216709
2-[5-[5-(cyclopentylmethoxy)-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 146281809
2-methylpropan-2-ol;propan-2-yl 2-[5-[6-[2-(4-chlorophenoxy)ethyl-methylamino]-3-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetate
CID 153377803
2-[5-[5-[2-(2-chloro-6-fluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216502
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(2-methoxyphenyl)ethoxy]-2-pyridinyl]-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398956

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate?
The IUPAC name of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate (CID 135216480) is propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate is Cc1ncc(-c2ccc(OCCC(C)C)cn2)c(N2CCC(C)(C)CC2)c1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate?
The InChIKey is SPCIZFCXHSSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-19(2)10-15-33-22-8-9-25(30-17-22)24-18-29-21(5)23(16-26(32)34-20(3)4)27(24)31-13-11-28(6,7)12-14-31/h8-9,17-20H,10-16H2,1-7H3.
What are the key properties of propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate?
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate has a molecular weight of 467.65 g/mol, XLogP of 6.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutoxy)-2-pyridinyl]-3-pyridinyl]acetate is sourced from PubChem (CID 135216480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).