N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C24H36N4O4 — CID 55713124

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)N2CCOCC2)cc1
InChIInChI=1S/C24H36N4O4/c1-31-21-6-4-19(5-7-21)22(26-14-16-32-17-15-26)18-25-23(29)20-8-12-28(13-9-20)24(30)27-10-2-3-11-27/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,29)
InChIKeyFUZVHIAYIHDKQE-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55713124) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55713124
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)N2CCOCC2)cc1
InChIInChI=1S/C24H36N4O4/c1-31-21-6-4-19(5-7-21)22(26-14-16-32-17-15-26)18-25-23(29)20-8-12-28(13-9-20)24(30)27-10-2-3-11-27/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,29)
InChIKeyFUZVHIAYIHDKQE-UHFFFAOYSA-N
XLogP2.11
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 55364403
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119829763
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
ethyl 1-[N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155235
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55713124) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is COc1ccc(C(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is FUZVHIAYIHDKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-31-21-6-4-19(5-7-21)22(26-14-16-32-17-15-26)18-25-23(29)20-8-12-28(13-9-20)24(30)27-10-2-3-11-27/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55713124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).