(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C22H27ClN2O3 — CID 55367355

IUPAC(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCc1c(Cl)c(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C22H27ClN2O3/c1-14-16-7-5-6-8-17(16)24-18(19(14)23)13-28-20(26)15-9-11-25(12-10-15)21(27)22(2,3)4/h5-8,15H,9-13H2,1-4H3
InChIKeyBVGYQZFIJBYPEW-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.52
Rot. Bonds3

About (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 55367355) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID55367355
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCc1c(Cl)c(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C22H27ClN2O3/c1-14-16-7-5-6-8-17(16)24-18(19(14)23)13-28-20(26)15-9-11-25(12-10-15)21(27)22(2,3)4/h5-8,15H,9-13H2,1-4H3
InChIKeyBVGYQZFIJBYPEW-UHFFFAOYSA-N
XLogP4.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 4-O-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl] piperidine-1,4-dicarboxylate
CID 55392787
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711326
ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 55309589
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 30123421
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711807
(3-chloro-4-methylquinolin-2-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948698
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985221
1-(2,2-dimethylpropanoyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-4-carbohydrazide
CID 18227266
(3-cyanophenyl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711675

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 55367355) is (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is Cc1c(Cl)c(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)nc2ccccc12.
What is the InChIKey of (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is BVGYQZFIJBYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-14-16-7-5-6-8-17(16)24-18(19(14)23)13-28-20(26)15-9-11-25(12-10-15)21(27)22(2,3)4/h5-8,15H,9-13H2,1-4H3.
What are the key properties of (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 402.92 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55367355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).