N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C22H42N4O3 — CID 55793820

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCC(CN2CCOCC2)CC1)N1CCOCC1
InChIInChI=1S/C22H42N4O3/c1-3-20(4-2)21(25-11-15-29-16-12-25)17-23-22(27)26-7-5-19(6-8-26)18-24-9-13-28-14-10-24/h19-21H,3-18H2,1-2H3,(H,23,27)
InChIKeyMBWPRIGNYAULFP-UHFFFAOYSA-N
MW410.60 g/mol
LogP1.88
Rot. Bonds8

About N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 55793820) has the molecular formula C22H42N4O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID55793820
Molecular FormulaC22H42N4O3
Molecular Weight410.60 g/mol
Exact Mass410.33
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCC(CN2CCOCC2)CC1)N1CCOCC1
InChIInChI=1S/C22H42N4O3/c1-3-20(4-2)21(25-11-15-29-16-12-25)17-23-22(27)26-7-5-19(6-8-26)18-24-9-13-28-14-10-24/h19-21H,3-18H2,1-2H3,(H,23,27)
InChIKeyMBWPRIGNYAULFP-UHFFFAOYSA-N
XLogP1.88
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 55793820) is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is CCC(CC)C(CNC(=O)N1CCC(CN2CCOCC2)CC1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MBWPRIGNYAULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O3/c1-3-20(4-2)21(25-11-15-29-16-12-25)17-23-22(27)26-7-5-19(6-8-26)18-24-9-13-28-14-10-24/h19-21H,3-18H2,1-2H3,(H,23,27).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 410.60 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 55793820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).