2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide

C19H25N3O4 — CID 10291951

IUPAC2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OCC1CC1
InChIInChI=1S/C19H25N3O4/c1-25-16-5-4-15(10-17(16)26-12-14-2-3-14)19(13-20)6-8-22(9-7-19)11-18(23)21-24/h4-5,10,14,24H,2-3,6-9,11-12H2,1H3,(H,21,23)
InChIKeyIIXVILNNIWHUJI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide

2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide (PubChem CID 10291951) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide
PubChem CID10291951
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OCC1CC1
InChIInChI=1S/C19H25N3O4/c1-25-16-5-4-15(10-17(16)26-12-14-2-3-14)19(13-20)6-8-22(9-7-19)11-18(23)21-24/h4-5,10,14,24H,2-3,6-9,11-12H2,1H3,(H,21,23)
InChIKeyIIXVILNNIWHUJI-UHFFFAOYSA-N
XLogP1.85
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide (CID 10291951) is 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide is COc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OCC1CC1.
What is the InChIKey of 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide?
The InChIKey is IIXVILNNIWHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-16-5-4-15(10-17(16)26-12-14-2-3-14)19(13-20)6-8-22(9-7-19)11-18(23)21-24/h4-5,10,14,24H,2-3,6-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide?
2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide has a molecular weight of 359.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).