N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide

C22H29N3O5 — CID 45238770

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)CC2CCC(=O)N2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H29N3O5/c26-20(23-16-2-4-18-19(13-16)30-12-11-29-18)5-1-15-7-9-25(10-8-15)22(28)14-17-3-6-21(27)24-17/h2,4,13,15,17H,1,3,5-12,14H2,(H,23,26)(H,24,27)
InChIKeyLHNMLMWXAVDZGN-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.08
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide (PubChem CID 45238770) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide
PubChem CID45238770
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)CC2CCC(=O)N2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H29N3O5/c26-20(23-16-2-4-18-19(13-16)30-12-11-29-18)5-1-15-7-9-25(10-8-15)22(28)14-17-3-6-21(27)24-17/h2,4,13,15,17H,1,3,5-12,14H2,(H,23,26)(H,24,27)
InChIKeyLHNMLMWXAVDZGN-UHFFFAOYSA-N
XLogP2.08
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42195060
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 25447624
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 72857283
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-oxo-6-(trifluoromethyl)-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 78497147

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide (CID 45238770) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)CC2CCC(=O)N2)CC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is LHNMLMWXAVDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-20(23-16-2-4-18-19(13-16)30-12-11-29-18)5-1-15-7-9-25(10-8-15)22(28)14-17-3-6-21(27)24-17/h2,4,13,15,17H,1,3,5-12,14H2,(H,23,26)(H,24,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 415.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45238770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).