2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide

C21H29N3O4 — CID 10134821

IUPAC2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
SMILESCCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C21H29N3O4/c1-2-27-18-8-7-16(13-19(18)28-17-5-3-4-6-17)21(15-22)9-11-24(12-10-21)14-20(25)23-26/h7-8,13,17,26H,2-6,9-12,14H2,1H3,(H,23,25)
InChIKeyXHHHLXUOGDNSNR-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide

2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide (PubChem CID 10134821) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
PubChem CID10134821
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
SMILESCCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C21H29N3O4/c1-2-27-18-8-7-16(13-19(18)28-17-5-3-4-6-17)21(15-22)9-11-24(12-10-21)14-20(25)23-26/h7-8,13,17,26H,2-6,9-12,14H2,1H3,(H,23,25)
InChIKeyXHHHLXUOGDNSNR-UHFFFAOYSA-N
XLogP2.77
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.77
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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Related Compounds

Ono-6126
CID 9864321
2-[4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 9945538
2-[4-cyano-4-(4-methoxy-3-propan-2-yloxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10132419
2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10155377
1-[2-Oxo-2-(hydroxyamino)ethyl]-4-[3-(cyclopentyloxy)-4-(difluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 10201551
(2R)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10221819
2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide
CID 10291951
1-(2-Oxo-2-hydroxyethyl)-4-[3-(cyclopentyloxy)-4-(difluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 9931477
2-(4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-cyanopiperidin-1-yl)acetic acid
CID 10133035
2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide
CID 10157887
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10200231
2-[4-cyano-4-(3,4-dimethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10267945

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide (CID 10134821) is 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide is CCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The InChIKey is XHHHLXUOGDNSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-27-18-8-7-16(13-19(18)28-17-5-3-4-6-17)21(15-22)9-11-24(12-10-21)14-20(25)23-26/h7-8,13,17,26H,2-6,9-12,14H2,1H3,(H,23,25).
What are the key properties of 2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide has a molecular weight of 387.48 g/mol, XLogP of 2.77, 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-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10134821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).