methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate

C19H26N2O3 — CID 47006349

IUPACmethyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCc3cc(C)ccc32)CC1
InChIInChI=1S/C19H26N2O3/c1-14-5-6-17-16(12-14)4-3-9-21(17)13-18(22)20-10-7-15(8-11-20)19(23)24-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3
InChIKeyPYWDHBYMMDUDNB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds3

About methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 47006349) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID47006349
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCc3cc(C)ccc32)CC1
InChIInChI=1S/C19H26N2O3/c1-14-5-6-17-16(12-14)4-3-9-21(17)13-18(22)20-10-7-15(8-11-20)19(23)24-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3
InChIKeyPYWDHBYMMDUDNB-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63095254
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9328725
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411
N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate (CID 47006349) is methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCCc3cc(C)ccc32)CC1.
What is the InChIKey of methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is PYWDHBYMMDUDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-5-6-17-16(12-14)4-3-9-21(17)13-18(22)20-10-7-15(8-11-20)19(23)24-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3.
What are the key properties of methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 47006349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).