N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

C21H31N3O3 — CID 172892101

IUPACN-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C21H31N3O3/c1-22(21(25)24-10-13-26-14-11-24)19-3-2-8-23(16-19)9-6-17-4-5-20-18(15-17)7-12-27-20/h4-5,15,19H,2-3,6-14,16H2,1H3
InChIKeyAZUXNIMKCUMMAU-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.01
Rot. Bonds4

About N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide

N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 172892101) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
PubChem CID172892101
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)C1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C21H31N3O3/c1-22(21(25)24-10-13-26-14-11-24)19-3-2-8-23(16-19)9-6-17-4-5-20-18(15-17)7-12-27-20/h4-5,15,19H,2-3,6-14,16H2,1H3
InChIKeyAZUXNIMKCUMMAU-UHFFFAOYSA-N
XLogP2.01
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
CID 172891906
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azepan-4-yl]-2,2-diphenylacetamide
CID 142809097
methyl 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]morpholine-3-carboxylate
CID 115670642

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide (CID 172892101) is N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)C1CCCN(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is AZUXNIMKCUMMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-22(21(25)24-10-13-26-14-11-24)19-3-2-8-23(16-19)9-6-17-4-5-20-18(15-17)7-12-27-20/h4-5,15,19H,2-3,6-14,16H2,1H3.
What are the key properties of N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide?
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 172892101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).