N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide

C19H22N4O3 — CID 117076757

IUPACN-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide
SMILESNC1CCN(c2ccnc(NC(=O)Cc3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C19H22N4O3/c20-14-4-7-23(8-5-14)15-3-6-21-18(11-15)22-19(24)10-13-1-2-16-17(9-13)26-12-25-16/h1-3,6,9,11,14H,4-5,7-8,10,12,20H2,(H,21,22,24)
InChIKeyVRVOTGQKHAONQA-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide

N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 117076757) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide
PubChem CID117076757
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide
SMILESNC1CCN(c2ccnc(NC(=O)Cc3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C19H22N4O3/c20-14-4-7-23(8-5-14)15-3-6-21-18(11-15)22-19(24)10-13-1-2-16-17(9-13)26-12-25-16/h1-3,6,9,11,14H,4-5,7-8,10,12,20H2,(H,21,22,24)
InChIKeyVRVOTGQKHAONQA-UHFFFAOYSA-N
XLogP1.92
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-4-pyridinyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117076808
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208245
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
CID 75405128
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 122298889
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999955
N'-(1,3-benzodioxol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263494
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-(3-aminoazepan-1-yl)-2-(1,3-benzodioxol-5-yl)ethanone;hydrochloride
CID 154896938
N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215731
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide (CID 117076757) is N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide is NC1CCN(c2ccnc(NC(=O)Cc3ccc4c(c3)OCO4)c2)CC1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is VRVOTGQKHAONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-14-4-7-23(8-5-14)15-3-6-21-18(11-15)22-19(24)10-13-1-2-16-17(9-13)26-12-25-16/h1-3,6,9,11,14H,4-5,7-8,10,12,20H2,(H,21,22,24).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide?
N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-2-pyridinyl]-2-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 117076757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).