[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate

C27H37N3O5 — CID 71609914

IUPAC[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate
SMILESCOCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)nc2c(OC(=O)C3CCCC3)cccc12
InChIInChI=1S/C27H37N3O5/c1-18(2)30(20-10-7-13-28-17-20)26(31)22-16-24(34-15-14-33-3)21-11-6-12-23(25(21)29-22)35-27(32)19-8-4-5-9-19/h6,11-12,16,18-20,28H,4-5,7-10,13-15,17H2,1-3H3/t20-/m1/s1
InChIKeyZDPIORIOQGRHLT-HXUWFJFHSA-N
MW483.61 g/mol
LogP3.96
Rot. Bonds9

About [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate

[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate (PubChem CID 71609914) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate
PubChem CID71609914
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Name[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate
SMILESCOCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)nc2c(OC(=O)C3CCCC3)cccc12
InChIInChI=1S/C27H37N3O5/c1-18(2)30(20-10-7-13-28-17-20)26(31)22-16-24(34-15-14-33-3)21-11-6-12-23(25(21)29-22)35-27(32)19-8-4-5-9-19/h6,11-12,16,18-20,28H,4-5,7-10,13-15,17H2,1-3H3/t20-/m1/s1
InChIKeyZDPIORIOQGRHLT-HXUWFJFHSA-N
XLogP3.96
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] 4-fluorobenzoate
CID 71609916
8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
CID 139582045
N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,4-trifluorobutoxy)quinoline-2-carboxamide;dihydrochloride
CID 25115977
8-(3,3-dimethyl-2-oxobutoxy)-4-(2-methoxyethoxy)-N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylquinoline-2-carboxamide
CID 154399326
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
(3R)-3-[[8-(cyclohexylmethoxy)-4-(2-methoxyethoxy)quinoline-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylic acid
CID 154365014
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
CID 68662611
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate?
The IUPAC name of [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate (CID 71609914) is [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate.
What is the SMILES notation for [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate?
The canonical SMILES for [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate is COCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)nc2c(OC(=O)C3CCCC3)cccc12.
What is the InChIKey of [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate?
The InChIKey is ZDPIORIOQGRHLT-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-18(2)30(20-10-7-13-28-17-20)26(31)22-16-24(34-15-14-33-3)21-11-6-12-23(25(21)29-22)35-27(32)19-8-4-5-9-19/h6,11-12,16,18-20,28H,4-5,7-10,13-15,17H2,1-3H3/t20-/m1/s1.
What are the key properties of [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate?
[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate has a molecular weight of 483.61 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate is sourced from PubChem (CID 71609914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).