ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate

C23H34N4O3 — CID 45212916

IUPACethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)CC1
InChIInChI=1S/C23H34N4O3/c1-3-30-23(29)26-14-12-25(13-15-26)20-7-5-11-27(17-20)22(28)19-8-9-21-18(16-19)6-4-10-24(21)2/h8-9,16,20H,3-7,10-15,17H2,1-2H3
InChIKeyYTNUVEGDWQSSRS-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.45
Rot. Bonds3

About ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 45212916) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
PubChem CID45212916
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nameethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)CC1
InChIInChI=1S/C23H34N4O3/c1-3-30-23(29)26-14-12-25(13-15-26)20-7-5-11-27(17-20)22(28)19-8-9-21-18(16-19)6-4-10-24(21)2/h8-9,16,20H,3-7,10-15,17H2,1-2H3
InChIKeyYTNUVEGDWQSSRS-UHFFFAOYSA-N
XLogP2.45
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylphenyl)methanone
CID 54906207
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 78893652
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581
ethyl 4-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45206671
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
(3-amino-4-methylphenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150370
ethyl 4-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45185738
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 79946189
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
ethyl 4-[(3S)-1-[2-(3,4-dimethylphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 95713864

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate (CID 45212916) is ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)CC1.
What is the InChIKey of ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is YTNUVEGDWQSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-3-30-23(29)26-14-12-25(13-15-26)20-7-5-11-27(17-20)22(28)19-8-9-21-18(16-19)6-4-10-24(21)2/h8-9,16,20H,3-7,10-15,17H2,1-2H3.
What are the key properties of ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 45212916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).