N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C18H32N4O3 — CID 166259890

IUPACN-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCCCC1CNC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H32N4O3/c1-20-5-3-2-4-16(20)13-19-18(24)15-12-17(23)22(14-15)7-6-21-8-10-25-11-9-21/h15-16H,2-14H2,1H3,(H,19,24)
InChIKeyLOXKXHWWLVYRNT-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.23
Rot. Bonds6

About N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166259890) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166259890
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCCCC1CNC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H32N4O3/c1-20-5-3-2-4-16(20)13-19-18(24)15-12-17(23)22(14-15)7-6-21-8-10-25-11-9-21/h15-16H,2-14H2,1H3,(H,19,24)
InChIKeyLOXKXHWWLVYRNT-UHFFFAOYSA-N
XLogP-0.23
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119611954
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 30836135
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166254690
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166372523
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 166259890) is N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is CN1CCCCC1CNC(=O)C1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LOXKXHWWLVYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-20-5-3-2-4-16(20)13-19-18(24)15-12-17(23)22(14-15)7-6-21-8-10-25-11-9-21/h15-16H,2-14H2,1H3,(H,19,24).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166259890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).