N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C20H30N4O4 — CID 45184872

IUPACN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1
InChIInChI=1S/C20H30N4O4/c1-22(15-17-13-18(27-2)5-6-21-17)20(26)16-3-4-19(25)24(14-16)8-7-23-9-11-28-12-10-23/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3
InChIKeyMKWVPYSMFJYOGJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.62
Rot. Bonds7

About N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45184872) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45184872
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1
InChIInChI=1S/C20H30N4O4/c1-22(15-17-13-18(27-2)5-6-21-17)20(26)16-3-4-19(25)24(14-16)8-7-23-9-11-28-12-10-23/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3
InChIKeyMKWVPYSMFJYOGJ-UHFFFAOYSA-N
XLogP0.62
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 45184872) is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is COc1ccnc(CN(C)C(=O)C2CCC(=O)N(CCN3CCOCC3)C2)c1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MKWVPYSMFJYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-22(15-17-13-18(27-2)5-6-21-17)20(26)16-3-4-19(25)24(14-16)8-7-23-9-11-28-12-10-23/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3.
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45184872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).