N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide

C33H43N3O5 — CID 67068386

IUPACN-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide
SMILESCOCCCc1cc(CN(C(=O)C2CNCCC2c2cc(=O)[nH]c3ccc(C)cc23)C2CC2)cc(OCCOC)c1
InChIInChI=1S/C33H43N3O5/c1-22-6-9-31-29(15-22)28(19-32(37)35-31)27-10-11-34-20-30(27)33(38)36(25-7-8-25)21-24-16-23(5-4-12-39-2)17-26(18-24)41-14-13-40-3/h6,9,15-19,25,27,30,34H,4-5,7-8,10-14,20-21H2,1-3H3,(H,35,37)
InChIKeyCJJYJUQNAUFBOZ-UHFFFAOYSA-N
MW561.72 g/mol
LogP4.33
Rot. Bonds13

About N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide (PubChem CID 67068386) has the molecular formula C33H43N3O5 and a molecular weight of 561.72 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide
PubChem CID67068386
Molecular FormulaC33H43N3O5
Molecular Weight561.72 g/mol
Exact Mass561.32
IUPAC NameN-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide
SMILESCOCCCc1cc(CN(C(=O)C2CNCCC2c2cc(=O)[nH]c3ccc(C)cc23)C2CC2)cc(OCCOC)c1
InChIInChI=1S/C33H43N3O5/c1-22-6-9-31-29(15-22)28(19-32(37)35-31)27-10-11-34-20-30(27)33(38)36(25-7-8-25)21-24-16-23(5-4-12-39-2)17-26(18-24)41-14-13-40-3/h6,9,15-19,25,27,30,34H,4-5,7-8,10-14,20-21H2,1-3H3,(H,35,37)
InChIKeyCJJYJUQNAUFBOZ-UHFFFAOYSA-N
XLogP4.33
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.72
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide (CID 67068386) is N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide is COCCCc1cc(CN(C(=O)C2CNCCC2c2cc(=O)[nH]c3ccc(C)cc23)C2CC2)cc(OCCOC)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is CJJYJUQNAUFBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O5/c1-22-6-9-31-29(15-22)28(19-32(37)35-31)27-10-11-34-20-30(27)33(38)36(25-7-8-25)21-24-16-23(5-4-12-39-2)17-26(18-24)41-14-13-40-3/h6,9,15-19,25,27,30,34H,4-5,7-8,10-14,20-21H2,1-3H3,(H,35,37).
What are the key properties of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?
N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 561.72 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 67068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).