N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide

C58H62Cl2N8O6 — CID 137423714

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide
SMILESO=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1.O=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1
InChIInChI=1S/2C29H31ClN4O3/c2*30-23-8-4-21(5-9-23)28(25-3-1-2-14-31-25)33-29(36)22-12-15-34(16-13-22)17-18-37-24-10-6-20-7-11-27(35)32-26(20)19-24/h2*1-6,8-10,14,19,22,28H,7,11-13,15-18H2,(H,32,35)(H,33,36)
InChIKeyGWZPOTRZNJCZNJ-UHFFFAOYSA-N
MW1038.09 g/mol
LogP9.23
Rot. Bonds16

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide (PubChem CID 137423714) has the molecular formula C58H62Cl2N8O6 and a molecular weight of 1038.09 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide
PubChem CID137423714
Molecular FormulaC58H62Cl2N8O6
Molecular Weight1038.09 g/mol
Exact Mass1036.42
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide
SMILESO=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1.O=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1
InChIInChI=1S/2C29H31ClN4O3/c2*30-23-8-4-21(5-9-23)28(25-3-1-2-14-31-25)33-29(36)22-12-15-34(16-13-22)17-18-37-24-10-6-20-7-11-27(35)32-26(20)19-24/h2*1-6,8-10,14,19,22,28H,7,11-13,15-18H2,(H,32,35)(H,33,36)
InChIKeyGWZPOTRZNJCZNJ-UHFFFAOYSA-N
XLogP9.23
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.09
LogP ≤ 59.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,6-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413311
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413281
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethoxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 137423552
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 121413383

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide (CID 137423714) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide is O=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1.O=C1CCc2ccc(OCCN3CCC(C(=O)NC(c4ccc(Cl)cc4)c4ccccn4)CC3)cc2N1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide?
The InChIKey is GWZPOTRZNJCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31ClN4O3/c2*30-23-8-4-21(5-9-23)28(25-3-1-2-14-31-25)33-29(36)22-12-15-34(16-13-22)17-18-37-24-10-6-20-7-11-27(35)32-26(20)19-24/h2*1-6,8-10,14,19,22,28H,7,11-13,15-18H2,(H,32,35)(H,33,36).
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide has a molecular weight of 1038.09 g/mol, XLogP of 9.23, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137423714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).