2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide

C23H30N4O3 — CID 142792517

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide
SMILESNC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H30N4O3/c24-22(28)23(16-18-5-10-26-11-6-18,27-12-7-17-3-8-25-9-4-17)19-1-2-20-21(15-19)30-14-13-29-20/h1-2,5-6,10-11,15,17,25,27H,3-4,7-9,12-14,16H2,(H2,24,28)
InChIKeyNNFKNSZLVXVWND-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.76
Rot. Bonds8

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide (PubChem CID 142792517) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide
PubChem CID142792517
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide
SMILESNC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H30N4O3/c24-22(28)23(16-18-5-10-26-11-6-18,27-12-7-17-3-8-25-9-4-17)19-1-2-20-21(15-19)30-14-13-29-20/h1-2,5-6,10-11,15,17,25,27H,3-4,7-9,12-14,16H2,(H2,24,28)
InChIKeyNNFKNSZLVXVWND-UHFFFAOYSA-N
XLogP1.76
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide
CID 142792466
2-(3-methylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
CID 142792657
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-4-yl-2-(2-pyridin-3-ylethylamino)butanamide
CID 142791981
2-(2-ethylphenyl)-2-(2-piperidin-4-ylethylamino)-4-pyridin-4-ylbutanamide
CID 142792323
N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide
CID 164754517
2-(3-methylphenyl)-3-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792098
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119537596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119537595
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719
N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60902424

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide (CID 142792517) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide is NC(=O)C(Cc1ccncc1)(NCCC1CCNCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide?
The InChIKey is NNFKNSZLVXVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c24-22(28)23(16-18-5-10-26-11-6-18,27-12-7-17-3-8-25-9-4-17)19-1-2-20-21(15-19)30-14-13-29-20/h1-2,5-6,10-11,15,17,25,27H,3-4,7-9,12-14,16H2,(H2,24,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-piperidin-4-ylethylamino)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 142792517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).