N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide

C17H30N4O3 — CID 123572033

IUPACN-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(N2CCOCC2)CN1C(=O)N1CCCCC1
InChIInChI=1S/C17H30N4O3/c1-2-18-16(22)15-12-14(19-8-10-24-11-9-19)13-21(15)17(23)20-6-4-3-5-7-20/h14-15H,2-13H2,1H3,(H,18,22)
InChIKeyAAUCQUOOMMQIJO-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.50
Rot. Bonds3

About N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide

N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 123572033) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
PubChem CID123572033
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(N2CCOCC2)CN1C(=O)N1CCCCC1
InChIInChI=1S/C17H30N4O3/c1-2-18-16(22)15-12-14(19-8-10-24-11-9-19)13-21(15)17(23)20-6-4-3-5-7-20/h14-15H,2-13H2,1H3,(H,18,22)
InChIKeyAAUCQUOOMMQIJO-UHFFFAOYSA-N
XLogP0.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine, 1-(4-morpholinylacetyl)-4-((5-oxo-2-pyrrolidinyl)carbonyl)-
CID 3066696
US10716791, Code KP-287
CID 126601948
US11179399, Example 10
CID 163199996
US11179399, Example 29
CID 163200045
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 3319860
N-(2-methoxyethyl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 72044073
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
1-[(4R,7S,8aS)-4-(3-morpholin-4-yl-3-oxopropyl)-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762675
1-[(4R,7S,8aS)-1-oxo-4-(3-oxo-3-piperidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762941
1-[(4R,7S,8aS)-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26763012
(2S,5aS,8aR)-1-methyl-6-(1-methylpiperidin-4-yl)-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361074
N-(2-Methoxyethyl)-5-oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide (CID 123572033) is N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide is CCNC(=O)C1CC(N2CCOCC2)CN1C(=O)N1CCCCC1.
What is the InChIKey of N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is AAUCQUOOMMQIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-2-18-16(22)15-12-14(19-8-10-24-11-9-19)13-21(15)17(23)20-6-4-3-5-7-20/h14-15H,2-13H2,1H3,(H,18,22).
What are the key properties of N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide?
N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-yl-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123572033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).